Molecule ID: 71296159

IUPAC Name: (3S,7R)-18-hydroxy-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one

Description: The molecule is a sterigmatocystin that is the 11-hydroxy-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: COc1ccc(O)c2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OCC[C@@H]41

SELFIES: [C][O][C][=C][C][=C][Branch1][C][O][C][O][C][=C][C][=Branch2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][=N][O][C@H1][O][C][C][C@@H1][Ring1][S][Ring1][Branch1]

InChI: InChI=1S/C19H16O7/c1-22-10-4-3-9(20)17-14(10)16(21)15-11(23-2)7-12-13(18(15)26-17)8-5-6-24-19(8)25-12/h3-4,7-8,19-20H,5-6H2,1-2H3/t8-,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 2.5