Molecule ID: 363218

IUPAC Name: 4,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-methyl-8-oxobenzo[g]chromen-9-yl)benzo[g]chromen-8-one

Description: The molecule is a binaphthopyran resulting from the formal oxidative coupling at position 9 of two molecules of 5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one. It has a role as an Aspergillus metabolite. It is a benzochromenone, a member of phenols, a naphtho-gamma-pyrone and a binaphthopyran. It is a conjugate acid of an ustilaginoidin A(2-).

SMILES: Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c(O)cc(C)oc6cc45)c3cc2o1

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

InChI: InChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,29-30,33-36H,1-2H3

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: 0.5