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name Structure Reference Source Properties Activities Metabolism

2,4-Dodecadienoic acid; (2E,4E)-form, 2-Methylpropylamide 

AlkaPlorer ID: AK296967

Synonym: 2,4-Dodecadienoic acid isobutylamide

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

Structure

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

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InChI: InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+

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InChIKey: BBRMJCAPNGJKEM-AQASXUMVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Rubus pileatus Rubus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Agaricus xanthodermus Agaricus Agaricaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Palisota barteri Palisota Commelinaceae Commelinales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phoebe grandis Phoebe Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cladrastis kentukea Cladrastis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polypodium vulgare Polypodium Polypodiaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Echinacea angustifolia Echinacea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Glycosmis puberula Glycosmis Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scrophularia leucoclada Scrophularia Scrophulariaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Otanthus maritimus Otanthus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper sarmentosum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper retrofractum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ferula gummosa Ferula Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dracaena ombet Dracaena Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Echinacea purpurea Echinacea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aglaia perviridis Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Arnebia decumbens Arnebia Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sinularia leptoclados Sinularia Sinulariidae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Brickellia longifolia Brickellia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leifsonia aquatica Leifsonia Microbacteriaceae Micrococcales Actinomycetes Actinomycetota None Bacteria
Clerodendrum cyrtophyllum Clerodendrum Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crotalaria mitchellii Crotalaria Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper nigrum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Photorhabdus luminescens Photorhabdus Morganellaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Verbesina virginica Verbesina Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Penicillium tardum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Acanthothamnus aphyllus Acanthothamnus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae 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
Berkheya rhapontica Berkheya Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bupleurum rigidum Bupleurum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crinum stuhlmannii Crinum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Carpesium longifolium Carpesium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vincetoxicum hirundinaria Vincetoxicum Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces naraensis Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Mycoplasma mycoides Mycoplasma Mycoplasmataceae Mycoplasmatales Mollicutes Mycoplasmatota None Bacteria
Ardisia japonica Ardisia Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Matsumurella chinensis Matsumurella Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pseudomonas syringae Pseudomonas Pseudomonadaceae Pseudomonadales Gammaproteobacteria Pseudomonadota None Bacteria
None Echinacea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Acanthosyris paulo-alvinii Acanthosyris Cervantesiaceae Santalales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crocus corsicus Crocus Iridaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cephalotaxus hainanensis Cephalotaxus Taxaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Coelogyne nitida Coelogyne Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oocystis polymorpha Oocystis Oocystaceae Chlorellales Trebouxiophyceae Chlorophyta Viridiplantae Eukaryota
Saccharothrix mutabilis Saccharothrix Pseudonocardiaceae Pseudonocardiales Actinomycetes Actinomycetota None Bacteria
Didymosphaeria enalia Didymosphaeria Didymosphaeriaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Piper flaviflorum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anacyclus pyrethrum Anacyclus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leucocyclus formosus Leucocyclus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 251.414

TPSA？: 32.59

MolLogP？: 5.071800000000005

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cannabinoid CB1 receptor Ki 1940.0 nM 10.1021/acs.jnatprod.8b00874
Homo sapiens Cannabinoid CB2 receptor Activity 50.0 % 10.1021/np060598+
Homo sapiens Cannabinoid CB2 receptor Ki 52.0 nM 10.1021/np060598+
Homo sapiens Cannabinoid CB2 receptor Ki 60.0 nM 10.1021/acs.jnatprod.8b00874
Homo sapiens Peroxisome proliferator-activated receptor gamma FC 4.0 None 10.1021/np900003a
Mus musculus 3T3-L1 Activity 10.1 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity 11.1 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity 15.3 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity 16.3 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity nan None 10.1021/np900003a
Mus musculus Cannabinoid CB1 receptor Ki 2600.0 nM 10.1016/j.bmc.2013.09.017
Mus musculus Cannabinoid CB2 receptor Ki 900.0 nM 10.1016/j.bmc.2013.09.017
Mus musculus Delta opioid receptor Ki 43000.0 nM 10.1016/j.bmc.2013.09.017
Mus musculus Hepatocyte Inhibition 12.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 12.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 17.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 21.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 21.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 31.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 31.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 41.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 44.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 44.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 75.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 82.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition -3.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition -2.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 0.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 34.0 % 10.1016/j.bmc.2009.08.050
Mus musculus MEF Activity nan None 10.1021/np900003a
Mus musculus Mu opioid receptor Ki 8200.0 nM 10.1016/j.bmc.2013.09.017
Mus musculus RAW264.7 Activity nan None 10.1016/j.bmcl.2015.06.024
Mus musculus RAW264.7 ID50 6.0 ug ml-1 10.1021/np040245f
Mus musculus RAW264.7 Inhibition nan % 10.1016/j.bmcl.2015.06.024
Mus musculus RAW264.7 TD50 12.5 ug ml-1 10.1021/np040245f
None Unchecked Ratio Ki 2.89 None 10.1016/j.bmc.2013.09.017
None Unchecked Ratio Ki 5.24 None 10.1016/j.bmc.2013.09.017

Metabolism Information