Molecule ID: 136086707

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

Description: The molecule is a biaryl that is 2,3-dihydro-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', 3 and 3'. 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: Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@H](C)C6=O)c(=O)cc(O)c3c(O)c2c(O)c1C

SELFIES: [C][C][O][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][Branch1][C][O][C][Ring2][Ring1][P][=C][Branch1][C][O][C][=Ring2][Ring2][=Branch1][C]

InChI: InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31,33-34,36-38H,1-4H3/t9-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: 3.1