Molecule ID: 46886842

IUPAC Name: (2R,3R)-5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one

Description: The molecule is a biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile. It has a role as a Chaetomium metabolite. It is a benzochromenone, a biaryl and a member of phenols.

SMILES: CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c2O)O1

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

InChI: InChI=1S/C29H24O10/c1-9-4-14(30)25-19(38-9)5-12-21(15(31)7-17(33)23(12)28(25)36)22-13-6-20-26(27(35)10(2)11(3)39-20)29(37)24(13)18(34)8-16(22)32/h5-11,31-34,36-37H,4H2,1-3H3/t9?,10-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: 5.4