Summary

IMPPAT Phytochemical identifier: IMPHY013437

Phytochemical name: Kaempferide 3-rhamnoside

Synonymous chemical names:
kaempferide 3-rhamnoside

External chemical identifiers:
CID:44259088

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Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1OC(C)[C@@H](C([C@@H]1O)O)O)O

InChI:
InChI=1S/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)32-21-17(26)15-13(24)7-11(23)8-14(15)31-20(21)10-3-5-12(29-2)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3/t9?,16-,18?,19-,22-/m0/s1

InChIKey:
NUFNGCDVYZKSKE-PTCZFTINSA-N

DeepSMILES:
COcccccc6))cocccO)ccc6c=O)c%10O[C@@H]OCC)[C@@H]C[C@@H]6O))O))O)))))))))O

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

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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

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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: 1.894

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Chemical structure download