(9E,12E,15E)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

AlkaPlorer ID: AK318711

Synonym: None

IUPAC Name: (9Z,12Z,15Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

Structure

SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(O)=NCC1=CC=CC(OC)=C1

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InChI: InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-

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InChIKey: XKHCEDYSKNATME-YSTUJMKBSA-N

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Properties Information

Molecule Weight: 397.60300000000007

TPSA: 41.82000000000001

MolLogP: 7.741200000000008

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Anandamide amidohydrolase Efficacy 82.8 % 10.1021/acs.jnatprod.8b00874
Homo sapiens Anandamide amidohydrolase Efficacy 85.0 % 10.1021/np500292g
Homo sapiens Anandamide amidohydrolase IC50 13700.0 nM 10.1016/j.bmc.2013.06.034
Homo sapiens Anandamide amidohydrolase IC50 13700.0 nM 10.1021/acs.jnatprod.8b00874
Homo sapiens Anandamide amidohydrolase IC50 19050.0 nM 10.1021/np500292g
Homo sapiens Anandamide amidohydrolase Imax 82.8 % 10.1016/j.bmc.2013.06.034
Homo sapiens Anandamide amidohydrolase Inhibition 39.7 % 10.1016/j.bmc.2013.06.034
Homo sapiens Anandamide amidohydrolase Inhibition 82.4 % 10.1016/j.bmc.2013.06.034
Homo sapiens Cannabinoid CB1 receptor Ki 8670.0 nM 10.1021/np500292g
Homo sapiens Cannabinoid CB2 receptor Ki 50000.0 nM 10.1021/np500292g
Homo sapiens Epoxide hydratase IC50 76.0 nM 10.1021/acs.jnatprod.0c00938
Homo sapiens U-937 Efficacy 44.0 % 10.1021/np500292g
Homo sapiens U-937 IC50 100000.0 nM 10.1021/np500292g
Mus musculus Epoxide hydratase IC50 27.0 nM 10.1021/acs.jnatprod.0c00938
Mus musculus Monoglyceride lipase IC50 100000.0 nM 10.1021/np500292g
Rattus norvegicus Epoxide hydrolase 2 IC50 9.3 nM 10.1021/acs.jnatprod.0c00938

Metabolism Information