Molecule ID: 9986866

IUPAC Name: methyl 2-[6-[9,10-dihydroxy-7-methoxy-3-(2-methoxy-2-oxoethyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetate

Description: The molecule is a binaphthopyran resulting from the formal oxidative dimerisation at position 6 of two molecules of methyl (9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydro-1H-naphtho[2,3-c]pyran-3-yl)acetate. It is a binaphthopyran, a methyl ester, a polyketide, a ring assembly, an aromatic ether and a member of phenols.

SMILES: COC(=O)CC1Cc2cc3c(-c4c(OC)cc(O)c5c(O)c6c(cc45)CC(CC(=O)OC)OC6=O)c(OC)cc(O)c3c(O)c2C(=O)O1

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

InChI: InChI=1S/C34H30O14/c1-43-21-11-19(35)27-17(7-13-5-15(9-23(37)45-3)47-33(41)25(13)31(27)39)29(21)30-18-8-14-6-16(10-24(38)46-4)48-34(42)26(14)32(40)28(18)20(36)12-22(30)44-2/h7-8,11-12,15-16,35-36,39-40H,5-6,9-10H2,1-4H3

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: 5.2