Phyto4Health

Quercetin-3-Ogalactopyranoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2337335
PubChem: 11751616
IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21?/m1/s1
Standard InChI Key: OVSQVDMCBVZWGM-HBDJNLTOSA-N
SMILES: OC[C@H]1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O

Molecular propeties

AlogP: -0.54
Hydrogen bonds acceptors: 12
Hydrogen bonds donors: 8
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 464.1
Topological polar surface area: 207
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantHypericum perforatum
PlantSanguisorba officinalis
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5010000 nMTyrosine-protein kinase receptor FLT3P36888