Phyto4Health

Quercitrin

Representations & DB's id
ChEBI: CHEBI:17558
ChEMBL: CHEMBL82242
PubChem: 5280459
IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
Standard InChI Key: OXGUCUVFOIWWQJ-HQBVPOQASA-N
SMILES: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O

Molecular propeties
AlogP: 0.49
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 448.1
Topological polar surface area: 186
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
HerbaPolygonum aviculare
HerbaHypericum perforatum
HerbaHypericum perforatum
HerbaHypericum perforatum
HerbaHypericum perforatum
PlantIris florentina
PlantLavandula vera
RadixArctium lappa
PlantCapsicum annuum
PlantVaccinium vitis-idaea
PlantChelidonium majus
PlantEucalyptus maideni
PlantEphedra equisetina

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50150 nMAldose reductaseP15121
Potency19952.6 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
Potency28183.8 nMLysine-specific demethylase 4AO75164
IC502000 nMAldose reductaseP15121
Potency35481.3 nMGlutaminase kidney isoform, mitochondrialO94925
IC5017.49 ug/mlProtein-tyrosine phosphatase 1BP18031
Others64.4 %Protein-tyrosine phosphatase 1BP18031