Phyto4Health

(-)-Epigallocatechin 3-O-(Z)-P-Coumaroate

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1957042
PubChem: 57396559
IUPAC: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI: InChI=1S/C24H20O9/c25-14-4-1-12(2-5-14)3-6-22(30)32-21-11-16-17(27)9-15(26)10-20(16)33-24(21)13-7-18(28)23(31)19(29)8-13/h1-10,21,24-29,31H,11H2/b6-3-/t21-,24-/m1/s1
Standard InChI Key: HKPGWUPXXPIOAN-HCASUDDKSA-N
SMILES: O=C(O[C@@H]1Cc2c(O)cc(cc2O[C@@H]1c1cc(O)c(c(c1)O)O)O)/C=Cc1ccc(cc1)O

Molecular propeties

AlogP: 3.22
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 452.11
Topological polar surface area: 157
Number of aromatic rings: 3
Fsp3: 0.125
Number of carbons: 24

Plant sources

Part of plant Plant name Ref.
PlantCamellia sinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.