Summary

IMPPAT Phytochemical identifier: IMPHY013369

Phytochemical name: Naringenin 4'-O-alpha-L-rhamnopyranoside

Synonymous chemical names:
naringenin-4'-o-alpha-l-rhamnopyranoside

External chemical identifiers:
CID:42607919

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Chemical structure information

SMILES:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O[C@@H]1OC(C)[C@@H](C([C@@H]1O)O)O

InChI:
InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)29-12-4-2-10(3-5-12)15-8-14(24)17-13(23)6-11(22)7-16(17)30-15/h2-7,9,15,18-23,25-27H,8H2,1H3/t9?,15-,18-,19?,20-,21-/m0/s1

InChIKey:
SMIANZMWOZURTO-UMUGIMIDSA-N

DeepSMILES:
OcccO[C@@H]CC=O)c6cc%10)O)))))cccccc6))O[C@@H]OCC)[C@@H]C[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(c2ccc(OC3CCCCO3)cc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3CCCCO3)CC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC(CC3CCCCC3)CC2)CC2CCCCC12

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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: 2.117

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Chemical structure download