Summary

IMPPAT Phytochemical identifier: IMPHY013371

Phytochemical name: Hesperetin 7-O-rhamnoside

Synonymous chemical names:
hesperetin-7-o-rhamnoside

External chemical identifiers:
CID:42607982

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Chemical structure information

SMILES:
COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C22H24O10/c1-9-19(26)20(27)21(28)22(30-9)31-11-6-13(24)18-14(25)8-16(32-17(18)7-11)10-3-4-15(29-2)12(23)5-10/h3-7,9,16,19-24,26-28H,8H2,1-2H3/t9-,16?,19-,20+,21+,22-/m0/s1

InChIKey:
SVQOEFMFPWOSRE-QOUZSUJOSA-N

DeepSMILES:
COcccccc6O)))CCC=O)ccO6)cccc6O)))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cc(OC3CCCCO3)ccc21

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: Flavanones

NP-Likeness score: 2.071

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Chemical structure download