Cyrmenin A

AlkaPlorer ID: AK293999

Synonym: None

IUPAC Name: methyl (Z)-2-[2-[[(2E,4Z)-2,11-dimethyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]-3-methoxyprop-2-enoate

Structure

SMILES: C=C(N=C(O)/C(C)=C/C=C\CCCCCC(C)C)C(O)=N/C(=C\OC)C(=O)OC

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InChI: InChI=1S/C22H34N2O5/c1-16(2)13-11-9-7-8-10-12-14-17(3)20(25)23-18(4)21(26)24-19(15-28-5)22(27)29-6/h10,12,14-16H,4,7-9,11,13H2,1-3,5-6H3,(H,23,25)(H,24,26)/b12-10-,17-14+,19-15-

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InChIKey: VCWYTXXFJMLXBV-PBYGZRPHSA-N

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Properties Information

Molecule Weight: 406.5230000000001

TPSA: 100.71000000000002

MolLogP: 5.1829000000000045

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information