Molecule ID: 179522

IUPAC Name: 7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one

Description: The molecule is a dimeric naphthopyran with formula C32H30O12, isolated from several Aspergillus species. It has a role as an Aspergillus metabolite and a marine metabolite. It is a biaryl, a polyphenol, an aromatic ether, a cyclic hemiketal, an aromatic ketone, a cyclic ketone and a naphtho-gamma-pyrone.

SMILES: COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)CC(C)(O)O6)c2c1)OC(C)(O)CC3=O

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

InChI: InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: 4.6