Molecule ID: 11360765

IUPAC Name: 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pentan-1-one

Description: The molecule is a beta-D-glucoside compound having a (pentanoyl)-phloroglucinyl moiety at the anomeric position. Isolated from the whole plant of Indigofera heterantha, it exhibits lipoxygenase inhibitory activity. It has a role as a metabolite and a lipoxygenase inhibitor. It is a beta-D-glucoside, an aromatic ketone and a member of catechols. It derives from a phloroglucinol.

SMILES: CCCCC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C17H24O9/c1-2-3-4-9(20)13-10(21)5-8(19)6-11(13)25-17-16(24)15(23)14(22)12(7-18)26-17/h5-6,12,14-19,21-24H,2-4,7H2,1H3/t12-,14-,15+,16-,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 157.0 Ų
- LogP: 0.4