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4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3-methoxy-E-cinnamoyl) 

AlkaPlorer ID: AK285434

Synonym: N-trans-Feruloyltyramine, Moupinamide 

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

Structure

SMILES: COC1=CC(/C=C/C(O)=NCCC2=CC=C(O)C=C2)=CC=C1O

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InChI: InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

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InChIKey: NPNNKDMSXVRADT-WEVVVXLNSA-N

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Reference

Constituents of two Acalypha species

PubChem CID: 5280537

CAS: 66648-43-9

LOTUS: LTS0187051

SuperNatural Ⅲ: SN0251859-02

NPASS: NPC195749

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Strophanthus kombe Strophanthus Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ophiopogon japonicus Ophiopogon Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum lasiocarpum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cota tinctoria Cota Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cylas formicarius Cylas Brentidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Mercurialis leiocarpa Mercurialis Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phoma herbarum Phoma Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Polygonatum odoratum Polygonatum Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Juniperus horizontalis Juniperus Cupressaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Carissa spinarum Carissa Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mucuna birdwoodiana Mucuna Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper sylvaticum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cananga odorata Cananga Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lespedeza bicolor Lespedeza Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia cattimandoo Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Spinacia oleracea Spinacia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bitis gabonica Bitis Viperidae Squamata Lepidosauria Chordata Metazoa Eukaryota
Balanophora japonica Balanophora Balanophoraceae Santalales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Astragalus cibarius Astragalus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Annona squamosa Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hyoscyamus niger Hyoscyamus Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mastophora hutchinsoni Mastophora Araneidae Araneae Arachnida Arthropoda Metazoa Eukaryota
Artemisia arbuscula Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Acorus gramineus Acorus Acoraceae Acorales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Limonium sinense Limonium Plumbaginaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lasianthus wallichii Lasianthus Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Achillea pratensis Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ochradenus baccatus Ochradenus Resedaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Egregia menziesii Egregia Lessoniaceae Laminariales Phaeophyceae None None Eukaryota
Persicaria orientalis Persicaria Polygonaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Daphniphyllum paxianum Daphniphyllum Daphniphyllaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Citrus reshni Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aristolochia moupinensis Aristolochia Aristolochiaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aristolochia manshuriensis Aristolochia Aristolochiaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anaphalis margaritacea Anaphalis Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Buxus wallichiana Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Primula denticulata Primula Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anthotroche blackii Anthotroche Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Inula grantioides Inula Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Doris montereyensis Doris Dorididae Nudibranchia Gastropoda Mollusca Metazoa Eukaryota
Lycium barbarum Lycium Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Unio tumidus Unio Unionidae Unionida Bivalvia Mollusca Metazoa Eukaryota
Miliusa cuneata Miliusa Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plectosphaerella cucumerina Plectosphaerella Plectosphaerellaceae Glomerellales Sordariomycetes Ascomycota Fungi Eukaryota
Corynanthe pachyceras Corynanthe Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sida acuta Sida Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cannabis sativa Cannabis Cannabaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Bellevalia Hyacinthaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plantago hookeriana Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tinospora baenzigeri Tinospora Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sorbaria sorbifolia Sorbaria Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veronica arvensis Veronica Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cryptocarya angulata Cryptocarya Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Angelica sinensis Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oncorhynchus keta Oncorhynchus Salmonidae Salmoniformes Actinopteri Chordata Metazoa Eukaryota
Artemisia klotzchiana Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Clerodendranthus spicatus Clerodendranthus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veratrum dahuricum Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cynoglossum amabile Cynoglossum Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Monascus kaoliang Monascus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Alchornea cordifolia Alchornea Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lomandra hastilis Lomandra Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Papilio xuthus Papilio Papilionidae Lepidoptera Insecta Arthropoda Metazoa Eukaryota
Chenopodium album Chenopodium Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Eucalyptus perriniana Eucalyptus Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hibiscus taiwanensis Hibiscus Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tetradium glabrifolium Tetradium Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dysosma pleiantha Dysosma Berberidaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum tuberosum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Avena fatua Avena Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pisonia aculeata Pisonia Nyctaginaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Turnera ulmifolia Turnera Passifloraceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anemarrhena asphodeloides Anemarrhena Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aquilaria sinensis Aquilaria Thymelaeaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Atraphaxis frutescens Atraphaxis Polygonaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cotula cinerea Cotula Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oophaga pumilio Oophaga Dendrobatidae Anura Amphibia Chordata Metazoa Eukaryota
Mimusops caffra Mimusops Sapotaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ipomoea purpurea Ipomoea Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ziziphus jujuba Ziziphus Rhamnaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chloranthus holostegius Chloranthus Chloranthaceae Chloranthales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Xylaria cubensis Xylaria Xylariaceae Xylariales Sordariomycetes Ascomycota Fungi Eukaryota
Plantago ovata Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hemiphragma heterophyllum Hemiphragma Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Salmonella enterica Salmonella Enterobacteriaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Lycium chinense Lycium Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Boronia lanceolata Boronia Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Amsinckia lycopsoides Amsinckia Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hygrophorus eburneus Hygrophorus Hygrophoraceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Pinus parviflora Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Cota saguramica Cota Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Passiflora caerulea Passiflora Passifloraceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pteromys volans Pteromys Sciuridae Rodentia Mammalia Chordata Metazoa Eukaryota
Xanthoparmelia tinctina Xanthoparmelia Parmeliaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Humulus japonicus Humulus Cannabaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dendrobium catenatum Dendrobium Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Penicillium herquei Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Tolypothrix nodosa Tolypothrix Tolypothrichaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Clerodendrum infortunatum Clerodendrum Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nerine bowdenii Nerine Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hylotelephium telephium Hylotelephium Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptococcus pneumoniae Streptococcus Streptococcaceae Lactobacillales Bacilli Bacillota None Bacteria
Casearia membranacea Casearia Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plectranthus caninus Plectranthus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum aculeatissimum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Capsicum annuum Capsicum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tribulus terrestris Tribulus Zygophyllaceae Zygophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bipolaris maydis Bipolaris Pleosporaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Dasymaschalon dasymaschalum Dasymaschalon Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Alexandrium excavatum Alexandrium Pyrocystaceae Gonyaulacales Dinophyceae None None Eukaryota
Litsea hypophaea Litsea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Marsilea quadrifolia Marsilea Marsileaceae Salviniales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Strychnos spinosa Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Diploclisia glaucescens Diploclisia Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Neolitsea sericea Neolitsea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Erycibe Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Erycibe Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bassia scoparia Bassia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rauvolfia salicifolia Rauvolfia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tambja ceutae Tambja Polyceridae Nudibranchia Gastropoda Mollusca Metazoa Eukaryota
Ipomoea nil Ipomoea Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sinomenium acutum Sinomenium Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cheilanthes mysurensis Cheilanthes Pteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Portulaca oleracea Portulaca Portulacaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Salsola Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Xanthium strumarium Xanthium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Campanula pendula Campanula Campanulaceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Angelica lucida Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sesbania bispinosa Sesbania Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Podocarpus sellowii Podocarpus Podocarpaceae Araucariales Pinopsida Streptophyta Viridiplantae Eukaryota
Dictyota spinulosa Dictyota Dictyotaceae Dictyotales Phaeophyceae None None Eukaryota
Myristica argentea Myristica Myristicaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lathyrus tingitanus Lathyrus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nelumbo nucifera Nelumbo Nelumbonaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Glycosmis pseudoracemosa Glycosmis Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypecoum sp. Hypecoum Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper nigrum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Annona montana Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Asimina triloba Asimina Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum melongena Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Celtis africana Celtis Cannabaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinellia ternata Pinellia Araceae Alismatales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 313.353

TPSA？: 82.28

MolLogP？: 3.3188000000000017

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase Inhibition nan % 10.1016/j.bmc.2017.12.011
Artemia Artemia LC50 6.7 ug.mL-1 10.1021/np50081a011
Aspergillus niger Aspergillus niger MIC nan None 10.1021/acs.jnatprod.5b00357
Candida albicans Candida albicans MIC nan None 10.1021/acs.jnatprod.5b00357
Chlorocebus sabaeus Vero IC50 47800.0 nM 10.1021/acs.jnatprod.5b01054
Escherichia coli Escherichia coli MBC nan None 10.1021/np060222w
Escherichia coli Escherichia coli MIC 700.0 ug.mL-1 10.1021/np060222w
Escherichia coli Escherichia coli MIC nan None 10.1021/acs.jnatprod.5b00357
Homo sapiens A549 ED50 13.35 ug ml-1 10.1021/np50081a011
Homo sapiens A549 IC50 30000.0 nM 10.1016/j.bmcl.2012.08.016
Homo sapiens A549 IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Homo sapiens Beta-glucosidase Inhibition nan % 10.1016/j.ejmech.2016.02.044
Homo sapiens DU-145 IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Homo sapiens GES1 IC50 150000.0 nM 10.1016/j.bmc.2022.116705
Homo sapiens HCT-15 IC50 30000.0 nM 10.1016/j.bmcl.2012.08.016
Homo sapiens HepG2 IC50 6.6 ug.mL-1 10.1021/np0005208
Homo sapiens HepG2 Inhibition 3.5 % 10.1021/acs.jnatprod.8b00483
Homo sapiens HGC-27 IC50 84500.0 nM 10.1016/j.bmc.2022.116705
Homo sapiens HT-29 ED50 23.58 ug ml-1 10.1021/np50081a011
Homo sapiens HT-29 IC50 20000.0 nM 10.1021/acs.jnatprod.5b00357
Homo sapiens KB IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Homo sapiens KB IC50 47800.0 nM 10.1021/acs.jnatprod.5b01054
Homo sapiens LNCaP IC50 100000.0 nM 10.1021/np010073b
Homo sapiens MCF7 ED50 4.76 ug ml-1 10.1021/np50081a011
Homo sapiens MCF7 IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Homo sapiens MDA-MB-231 IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Homo sapiens MDA-MB-435 IC50 20000.0 nM 10.1021/acs.jnatprod.5b00357
Homo sapiens MGC-803 IC50 98300.0 nM 10.1016/j.bmc.2022.116705
Homo sapiens SK-BR-3 IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Homo sapiens SK-MEL-2 IC50 30000.0 nM 10.1016/j.bmcl.2012.08.016
Homo sapiens SK-OV-3 IC50 30000.0 nM 10.1016/j.bmcl.2012.08.016
Homo sapiens Tyrosinase Inhibition 49.0 % 10.1016/j.bmcl.2006.01.022
Homo sapiens ZR-75-1 IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
Micrococcus luteus Micrococcus luteus MBC 700.0 ug ml-1 10.1021/np060222w
Micrococcus luteus Micrococcus luteus MIC 500.0 ug.mL-1 10.1021/np060222w
Mus musculus 3T3-L1 Activity nan None 10.1016/j.bmcl.2013.04.013
Mus musculus BV-2 Activity 97.8 % 10.1016/j.bmcl.2012.08.016
Mus musculus BV-2 Activity nan None 10.1021/acs.jnatprod.1c00055
Mus musculus BV-2 IC50 17360.0 nM 10.1016/j.bmcl.2012.08.016
Mus musculus BV-2 IC50 18000.0 nM 10.1021/acs.jnatprod.1c00055
Mus musculus BV-2 Inhibition nan % 10.1016/j.bmcl.2012.08.016
Mus musculus Nitric oxide synthase, inducible Inhibition nan % 10.1016/j.bmcl.2012.08.016
Mus musculus Quinone oxidoreductase CD 5.0 ug ml-1 10.1021/np030081n
Mus musculus RAW264.7 IC50 6330.0 nM 10.1016/j.bmcl.2019.05.011
Mus musculus RAW264.7 IC50 50000.0 nM 10.1021/acs.jnatprod.1c00146
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 60.0 ug.mL-1 10.1021/np100022s
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC nan None 10.1021/acs.jnatprod.5b00357
Plasmodium falciparum Plasmodium falciparum IC50 47800.0 nM 10.1021/acs.jnatprod.5b01054
Plasmodium falciparum Plasmodium falciparum IC50 54900.0 nM 10.1021/acs.jnatprod.5b01054
Pseudomonas aeruginosa Pseudomonas aeruginosa MBC nan None 10.1021/np060222w
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 700.0 ug.mL-1 10.1021/np060222w
Staphylococcus aureus Staphylococcus aureus MBC 700.0 ug ml-1 10.1021/np060222w
Staphylococcus aureus Staphylococcus aureus MIC 62.5 ug.mL-1 10.1007/s00044-012-0419-x
Staphylococcus aureus Staphylococcus aureus MIC 500.0 ug.mL-1 10.1021/np060222w
Staphylococcus aureus Staphylococcus aureus MIC nan None 10.1021/acs.jnatprod.5b00357
Staphylococcus epidermidis Staphylococcus epidermidis MBC nan None 10.1021/np060222w
Staphylococcus epidermidis Staphylococcus epidermidis MIC 700.0 ug.mL-1 10.1021/np060222w
Streptococcus pyogenes Streptococcus pyogenes MIC 125.0 ug.mL-1 10.1007/s00044-012-0419-x
Sus scrofa Pancreatic triacylglycerol lipase Inhibition nan % 10.1016/j.bmcl.2013.04.013
None ADMET Retention_time 28.42 min 10.1021/acs.jnatprod.1c00435
None Erythrocyte IC50 880000.0 nM 10.1016/j.bmcl.2018.03.079
None Erythrocyte IC50 1330000.0 nM 10.1016/j.bmcl.2018.03.079
None NON-PROTEIN TARGET Activity nan None 10.1021/np900593q
None NON-PROTEIN TARGET IC50 1.9 ug.mL-1 10.1021/np0005208
None NON-PROTEIN TARGET IC50 40000.0 nM 10.1016/j.bmcl.2014.08.063
None No relevant target IC50 41200.0 nM 10.1021/acs.jnatprod.6b00720
None Unchecked IC50 10620.0 nM 10.1016/j.ejmech.2016.02.044
None Unchecked IC50 24700.0 nM 10.1021/acs.jnatprod.9b00506
None Unchecked IC50 162000.0 nM 10.1021/acs.jnatprod.6b00720
None Unchecked IC50 5000000.0 nM 10.1021/acs.jnatprod.6b00720
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.02.044
None Unchecked Ki 11320.0 nM 10.1016/j.ejmech.2016.02.044

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011478 COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O)ccc1O.NCCc1ccc(O)cc1>>COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O enzymemap_28465
AKRT011485 COc1cc(/C=C/C(=O)[32S])ccc1O.NCCc1ccc(O)cc1>>COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O None
AKRT011510 COc1cc(/C=C/C(=O)[CoA])ccc1O.NCCc1ccc(O)cc1>>COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O TYRAMINE-N-FERULOYLTRANSFERASE-RXN