Molecule ID: 25256841

IUPAC Name: (2S)-5-hydroxy-8-[(2R)-5-hydroxy-2-methyl-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-2,7-dimethyl-3H-chromen-4-one

Description: The molecule is a chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450. It has a role as a metabolite, a P450 inhibitor and an antineoplastic agent. It is a gamma-lactone, a secondary alcohol and a chromanone.

SMILES: Cc1cc(O)c2c(c1-c1ccc3c(c1O)C(=O)C[C@](C)([C@@H]1OC(=O)C[C@@H]1C)O3)O[C@](C)([C@@H]1OC(=O)C[C@H]1O)CC2=O

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

InChI: InChI=1S/C30H30O11/c1-12-7-15(31)23-17(33)10-30(4,28-16(32)9-21(36)39-28)41-26(23)22(12)14-5-6-19-24(25(14)37)18(34)11-29(3,40-19)27-13(2)8-20(35)38-27/h5-7,13,16,27-28,31-32,37H,8-11H2,1-4H3/t13-,16+,27+,28+,29+,30-/m0/s1

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: 3.2