Summary

IMPPAT Phytochemical identifier: IMPHY015054

Phytochemical name: Quercitrin

Synonymous chemical names:
quercetin 3-rhamnoside, quercetin-3-o-rhamnoside, quercetin-3-rhamnoside, quercetrin, quercitrin, quercitrin (quercetin-3-o-rhamnoside), quercitroside

External chemical identifiers:
CID:5280459, ChEMBL:CHEMBL82242, ChEBI:17558, ZINC:ZINC000004175638, FDASRS:2Y8906LC5P, SureChEMBL:SCHEMBL147092, MolPort-000-882-121

---

Chemical structure information

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

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

InChIKey:
OXGUCUVFOIWWQJ-HQBVPOQASA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O)))))))cccccc6)O))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.165

---

Chemical structure download