Summary

IMPPAT Phytochemical identifier: IMPHY014478

Phytochemical name: alpha-Rhamnorobin

Synonymous chemical names:
kaempferol and their 7-o-α-l-rhamnofuranoside

External chemical identifiers:
CID:73715454, ChEBI:142253

---

Chemical structure information

SMILES:
CC(C1OC(C(C1O)O)Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O)O

InChI:
InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3

InChIKey:
PMWOCSJXZDDAPR-UHFFFAOYSA-N

DeepSMILES:
CCCOCCC5O))O))OcccO)ccc6)occc6=O))O))cccccc6))O))))))))))))))))O

Functional groups:
CO, c=O, cO, cOC(C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCC3)CCC12

---

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: 1.968

---

Chemical structure download