Molecule ID: 52952641

IUPAC Name: 6-[10-[10-(4,5-dimethoxy-3-methyl-6-oxopyran-2-yl)decyldisulfanyl]decyl]-3,4-dimethoxy-5-methylpyran-2-one

Description: The molecule is an organic disulfide that is didecyl disulfide in which the hydrogens of the terminal methyl groups are replaced by 3,4-dimethoxy-5-methyl-2H-pyran-2-ones groups respectively. It has been isolated from the marine sponge of the genus Plakortis. It has a role as an animal metabolite. It is a member of 2-pyranones, an ether, a polyketide and an organic disulfide.

SMILES: COc1c(C)c(CCCCCCCCCCSSCCCCCCCCCCc2oc(=O)c(OC)c(OC)c2C)oc(=O)c1OC

SELFIES: [C][O][C][C][Branch1][C][C][=C][Branch2][Ring2][O][C][C][C][C][C][C][C][C][C][C][S][S][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=Ring1][O][C][O][C][=Branch1][C][=O][C][=Ring2][Ring2][#Branch2][O][C]

InChI: InChI=1S/C36H58O8S2/c1-27-29(43-35(37)33(41-5)31(27)39-3)23-19-15-11-7-9-13-17-21-25-45-46-26-22-18-14-10-8-12-16-20-24-30-28(2)32(40-4)34(42-6)36(38)44-30/h7-26H2,1-6H3

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: 9.7