Molecule ID: 101301306

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

Description: The molecule is a dimeric naphthopyran with formula C32H28O11, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite. It is a biaryl, an aromatic ether, an aromatic ketone, a cyclic hemiketal, a cyclic ketone, a polyphenol and a naphtho-gamma-pyrone.

SMILES: COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)OC(C)(O)CC3=O

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

InChI: InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: 5.4