Phyto4Health

Isorhamnetin 3-Glucoside

Representations & DB's id

ChEBI: CHEBI:75750
ChEMBL: CHEMBL234316
PubChem: 5318645
IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
Standard InChI Key: CQLRUIIRRZYHHS-LFXZADKFSA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.24
Hydrogen bonds acceptors: 12
Hydrogen bonds donors: 7
Rotatable bonds: 5
Number of rings: 4
Molecular Weight: 478.11
Topological polar surface area: 196
Number of aromatic rings: 3
Fsp3: 0.318
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantCalendula officinalis
PlantCalendula officinalis
FructusFoeniculum vulgare
HerbaChelidonium majus
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.