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name Structure Reference Source Properties Activities Metabolism

Pellitorin

AlkaPlorer ID: AK318984

Synonym: None

IUPAC Name: (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide

Structure

SMILES: CCCCC/C=C/C=C/C(O)=NCC(C)C

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InChI: InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+

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InChIKey: MAGQQZHFHJDIRE-BNFZFUHLSA-N

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Reference

Pyrrolidine and piperidine amides from Achillea

PubChem CID: 5318516

CAS: 109-26-2

LOTUS: LTS0152762

SuperNatural Ⅲ: SN0220217-03

NPASS: NPC195986

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Rubus pileatus Rubus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hippocrepis emerus Hippocrepis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Palisota barteri Palisota Commelinaceae Commelinales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Agaricus xanthodermus Agaricus Agaricaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Nymphaea caerulea Nymphaea Nymphaeaceae Nymphaeales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Kallichroma tethys Kallichroma Bionectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Phoebe grandis Phoebe Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinus hartwegii Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Pagrus major Pagrus Sparidae Spariformes Actinopteri Chordata Metazoa Eukaryota
Protaetia cuprea Protaetia Scarabaeidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Pseudobrickellia brasiliensis Pseudobrickellia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper longum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plenckia populnea Plenckia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Iris spuria Iris Iridaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper sarmentosum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Forsythia japonica Forsythia Oleaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper retrofractum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bellardia viscosa Bellardia Orobanchaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Didymosphaeria enalia Didymosphaeria Didymosphaeriaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Castilleja sulphurea Castilleja Orobanchaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aglaia perviridis Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brickellia longifolia Brickellia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leifsonia aquatica Leifsonia Microbacteriaceae Micrococcales Actinomycetes Actinomycetota None Bacteria
Calliandra eriophylla Calliandra Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Photorhabdus luminescens Photorhabdus Morganellaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Piper nigrum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Corymbia scabrida Corymbia Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Verbesina virginica Verbesina Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Penicillium tardum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Penicillium puberulum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Anoplophora chinensis Anoplophora Cerambycidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Silene banksia Silene Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cochlearia officinalis Cochlearia Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dichotomanthes tristaniicarpa Dichotomanthes Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Frullania brasiliensis Frullania Frullaniaceae Porellales Jungermanniopsida Streptophyta Viridiplantae Eukaryota
Betula alnoides Betula Betulaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bupleurum rigidum Bupleurum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gyalolechia fulgida Gyalolechia Teloschistaceae Teloschistales Lecanoromycetes Ascomycota Fungi Eukaryota
Pocillopora damicornis Pocillopora Pocilloporidae Scleractinia Anthozoa Cnidaria Metazoa Eukaryota
Carpesium longifolium Carpesium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mycoplasma mycoides Mycoplasma Mycoplasmataceae Mycoplasmatales Mollicutes Mycoplasmatota None Bacteria
Alstonia vitiensis Alstonia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rubus trifidus Rubus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aromia moschata Aromia Cerambycidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
None Dinosperma Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ardisia japonica Ardisia Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces amakusaensis Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Matsumurella chinensis Matsumurella Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Huperzia miyoshiana Huperzia Lycopodiaceae Lycopodiales Lycopodiopsida Streptophyta Viridiplantae Eukaryota
Lophocolea bidentata Lophocolea Lophocoleaceae Jungermanniales Jungermanniopsida Streptophyta Viridiplantae Eukaryota
Acanthosyris paulo-alvinii Acanthosyris Cervantesiaceae Santalales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Umbilicaria hypococcinea Umbilicaria Umbilicariaceae Umbilicariales Lecanoromycetes Ascomycota Fungi Eukaryota
Dryopteris arguta Dryopteris Dryopteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Crocus corsicus Crocus Iridaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phytolacca thyrsiflora Phytolacca Phytolaccaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhododendron latoucheae Rhododendron Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Coelogyne nitida Coelogyne Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oocystis polymorpha Oocystis Oocystaceae Chlorellales Trebouxiophyceae Chlorophyta Viridiplantae Eukaryota
Lindera aggregata Lindera Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper kadsura Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinus aristata Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Aconitum episcopale Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 223.36

TPSA？: 32.59

MolLogP？: 4.291600000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aedes aegypti Aedes aegypti LC50 0.92 ppm 10.1016/j.ejmech.2015.04.061
Diatraea saccharalis Diatraea saccharalis LD50 91.19 ug 10.1002/ps.1643
Diatraea saccharalis Diatraea saccharalis LD90 184.56 ug 10.1002/ps.1643
Heliothis virescens Heliothis virescens Activity nan None 10.1021/np9705569
Homo sapiens Intercellular adhesion molecule-1 IC50 13.5 ug.mL-1 10.1016/j.bmcl.2008.07.045
Homo sapiens Intercellular adhesion molecule-1 Inhibition 11.3 % 10.1016/j.bmcl.2008.07.045
Homo sapiens Intercellular adhesion molecule-1 Inhibition 16.5 % 10.1016/j.bmcl.2008.07.045
Homo sapiens Intercellular adhesion molecule-1 Inhibition 46.4 % 10.1016/j.bmcl.2008.07.045
Homo sapiens Intercellular adhesion molecule-1 Inhibition 80.6 % 10.1016/j.bmcl.2008.07.045
Homo sapiens THP-1 Activity nan None 10.1016/j.bmcl.2008.07.045
Musca domestica Musca domestica Activity nan None 10.1021/np9705569
Mus musculus 3T3-L1 Activity 4.4 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity 6.2 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity 10.0 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity 18.2 % 10.1016/j.bmcl.2008.04.052
Mus musculus BV-2 Activity nan None 10.1021/acs.jnatprod.1c00055
Mus musculus BV-2 IC50 45000.0 nM 10.1021/acs.jnatprod.1c00055
Mus musculus Hepatocyte IC50 9300.0 nM 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 2.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 4.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 5.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 6.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 19.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 19.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 25.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 25.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 42.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 42.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus L929 Inhibition 4.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 10.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 18.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 19.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2008.07.045
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 50.0 ug.mL-1 10.1016/j.ejmech.2011.12.029
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 50.0 ug.mL-1 10.1016/j.ejmech.2017.06.005
Trypanosoma cruzi Trypanosoma cruzi IC50 57100.0 nM 10.1007/s00044-008-9161-9

Metabolism Information