Phyto4Health

Quercetin-3-Beta-Robinobioside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL3735346
PubChem: 10371536
IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,23+,26+,27-/m0/s1
Standard InChI Key: IKGXIBQEEMLURG-IEBISRBZSA-N
SMILES: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O

Molecular propeties

AlogP: -1.69
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 10
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 610.15
Topological polar surface area: 266
Number of aromatic rings: 3
Fsp3: 0.444
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50100000 nMTranscription factor HES-1Q14469