Molecule ID: 145944420

IUPAC Name: (3S)-8-[(3S)-9,10-dihydroxy-7-methoxy-1-oxo-3-[(2R,4R)-2,4,9-trihydroxynonyl]-3,4-dihydrobenzo[g]isochromen-8-yl]-9,10-dihydroxy-7-methoxy-3-[(2R,4R)-2,4,9-trihydroxynonyl]-3,4-dihydrobenzo[g]isochromen-1-one

Description: The molecule is a binaphthopyran resulting from the oxidative coupling at position 8 of two molecules of monapinone E. It is a binaphthopyran and a naphtho-alpha-pyrone. It derives from a monapinone E.

SMILES: COc1cc2cc3c(c(O)c2c(O)c1-c1c(OC)cc2cc4c(c(O)c2c1O)C(=O)O[C@H](C[C@H](O)C[C@H](O)CCCCCO)C4)C(=O)O[C@H](C[C@H](O)C[C@H](O)CCCCCO)C3

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

InChI: InChI=1S/C46H58O16/c1-59-33-17-25-13-23-15-31(21-29(51)19-27(49)9-5-3-7-11-47)61-45(57)37(23)41(53)35(25)43(55)39(33)40-34(60-2)18-26-14-24-16-32(22-30(52)20-28(50)10-6-4-8-12-48)62-46(58)38(24)42(54)36(26)44(40)56/h13-14,17-18,27-32,47-56H,3-12,15-16,19-22H2,1-2H3/t27-,28-,29-,30-,31+,32+/m1/s1

Molecular Properties:
- Polar Surface Area: 273.0 Ų
- LogP: 6.0