Molecule ID: 51041987

IUPAC Name: (2R,3S)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Description: The molecule is a ring assembly composed of fisetinidol and gallocatechin units. Isolated from Acacia mearnsii, it exhibits inhibitory activity against alpha-amylase. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a catechin and a ring assembly. It derives from a fisetinidol and a gallocatechin.

SMILES: Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2

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

InChI: InChI=1S/C30H26O12/c31-13-2-3-14-22(8-13)42-30(11-1-4-16(32)17(33)5-11)28(40)24(14)25-18(34)10-23-15(26(25)38)9-21(37)29(41-23)12-6-19(35)27(39)20(36)7-12/h1-8,10,21,24,28-40H,9H2/t21-,24-,28-,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 221.0 Ų
- LogP: 2.4