Molecule ID: 14608351

IUPAC Name: (3S,7R)-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14(19),15,17-hexaen-13-one

Description: The molecule is a sterigmatocystin that is the 8-O-methyl derivative of dihydrosterigmatocystin. It has a role as a metabolite. It is a member of sterigmatocystins and a cyclic acetal. It derives from a dihydrosterigmatocystin.

SMILES: COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OCC[C@@H]41

SELFIES: [C][O][C][=C][C][=C][C][O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=N][O][C@H1][O][C][C][C@@H1][Ring1][S][Ring1][Branch1]

InChI: InChI=1S/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 63.2 Ų
- LogP: 2.8