Summary

IMPPAT Phytochemical identifier: IMPHY013434

Phytochemical name: Kaempferol 3-rhamnoside-4'-xyloside

Synonymous chemical names:
kaempferol 3-rhamnoside-4-xyloside, kaempferol-3-rhamnoside-4'-xyloside

External chemical identifiers:
CID:44258939

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1OC(C)[C@@H](C([C@@H]1O)O)O)c1ccc(cc1)O[C@@H]1OC[C@H](C(C1O)O)O

InChI:
InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-11(27)7-15(16)39-23(24)10-2-4-12(5-3-10)38-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3/t9?,14-,17+,18?,20?,21?,22+,25+,26+/m1/s1

InChIKey:
JNCDGNJMRRVEGE-CVVLJODASA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O[C@@H]OCC)[C@@H]C[C@@H]6O))O))O)))))))cccccc6))O[C@@H]OC[C@H]CC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccc(OC3CCCCO3)cc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCC(OC3CCCCO3)CC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCC(CC3CCCCC3)CC2)C1CC1CCCCC1

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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: 1.898

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Chemical structure download