Molecule ID: 11245970

IUPAC Name: 2-[(1S,4S)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-1,3,5-trihydroxyxanthen-9-one

Description: The molecule is a member of the class of xanthones that is 5-O-demethylpaxanthonin, in which hydroxy group at position 6 is replaced by a hydrogen. Isolated from the leaves of Hypericum styphelioides, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a member of xanthones and a member of phenols. It derives from a 5-O-demethylpaxanthonin.

SMILES: C=C(C)[C@H]1C[C@H](c2c(O)cc3oc4c(O)cccc4c(=O)c3c2O)C(C)(C)C1

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

InChI: InChI=1S/C23H24O5/c1-11(2)12-8-14(23(3,4)10-12)18-16(25)9-17-19(21(18)27)20(26)13-6-5-7-15(24)22(13)28-17/h5-7,9,12,14,24-25,27H,1,8,10H2,2-4H3/t12-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 6.1