Summary

IMPPAT Phytochemical identifier: IMPHY014301

Phytochemical name: Kaempferol 3-O-(6''-O-acetyl)glucoside-7-O-rhamnoside

Synonymous chemical names:
kaempferol 3-o-(6''-o-acetyl)glucoside-7-o-rhamnoside

External chemical identifiers:
CID:14353454

---

Chemical structure information

SMILES:
CC(=O)OCC1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)OC2OC(C)C(C(C2O)O)O)c2ccc(cc2)O)C(C(C1O)O)O

InChI:
InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3

InChIKey:
GMYLPJSOUAYAGD-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCOCOccoccc6=O))cO)ccc6)OCOCC)CCC6O))O))O))))))))))))cccccc6))O))))))))CCC6O))O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1C2CCC(OC3CCCCO3)CC2OC(C2CCCCC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCC(CC3CCCCC3)CC2CC(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: 1.85

---

Chemical structure download