Molecule ID: 90477754

IUPAC Name: 9-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-5-hydroxy-8,10-dimethoxy-2-methylbenzo[h]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 and an antibacterial agent. 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)cc5cc(O)c6c(=O)cc(C)oc6c5c4OC)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][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=Ring1][Branch2][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)25-18(34)8-14-9-20(39-4)27(29(41-6)22(14)30(25)42-13)24-16-10-15(38-3)11-21(40-5)23(16)28(36)26-19(35)12-32(2,37)43-31(24)26/h7-11,34,36-37H,12H2,1-6H3

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