Summary

IMPPAT Phytochemical identifier: IMPHY004206

Phytochemical name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Synonymous chemical names:
kaempferol 7-o-rhamnoside, kaempferol-7-o-rhamnoside

External chemical identifiers:
CID:53891100, SureChEMBL:SCHEMBL1495144

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Chemical structure information

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

InChI:
InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21?/m1/s1

InChIKey:
HQNOUCSPWAGQND-UIXBWGQISA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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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: 2.041

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Chemical structure download