Phyto4Health

Catechin-(4Alpha->6)-Catechin

Representations & DB's id

ChEBI: CHEBI:75619
ChEMBL: CHEMBL502984
PubChem: 474540
IUPAC: (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Standard InChI: InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29+,30+/m0/s1
Standard InChI Key: GMISZFQPFDAPGI-ZBRHZRBFSA-N
SMILES: Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc2c(c1O)C[C@@H]([C@H](O2)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O

Molecular propeties

AlogP: 3
Hydrogen bonds acceptors: 12
Hydrogen bonds donors: 10
Rotatable bonds: 3
Number of rings: 6
Molecular Weight: 578.14
Topological polar surface area: 221
Number of aromatic rings: 4
Fsp3: 0.2
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera
PlantVaccinium vitis-idaea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.