Molecule ID: 52952640

IUPAC Name: 3,4-dimethoxy-5-methyl-6-(10-methylsulfinyldecyl)pyran-2-one

Description: The molecule is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(methylsulfinyl)decyl group at position 6. 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 a sulfoxide.

SMILES: COc1c(C)c(CCCCCCCCCCS(C)=O)oc(=O)c1OC

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

InChI: InChI=1S/C19H32O5S/c1-15-16(24-19(20)18(23-3)17(15)22-2)13-11-9-7-5-6-8-10-12-14-25(4)21/h5-14H2,1-4H3

Molecular Properties:
- Polar Surface Area: 81.0 Ų
- LogP: 3.7