Molecule ID: 447884

IUPAC Name: 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one

Description: The molecule is a member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. It has a role as a bacterial metabolite and a quinol oxidation site inhibitor. It is a member of chromones, a member of phenols, an aromatic ether and an olefinic compound.

SMILES: C/C=C(C)/C=C/C=C/[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C

SELFIES: [C][/C][=C][Branch1][C][C][/C][=C][/C][=C][/C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][C][C][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][=Branch1][C][=O][C][=Ring1][S][C]

InChI: InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 6.3