Summary

IMPPAT Phytochemical identifier: IMPHY008594

Phytochemical name: Naringerin

Synonymous chemical names:
naringerin

External chemical identifiers:
CID:42607905

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Chemical structure information

SMILES:
OC1[C@@H](OC([C@@H]([C@@H]1O)O)C)Oc1cc2OC(CC(=O)c2c(c1)O)c1ccc(cc1)O

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

InChIKey:
LUCQSVLCPJUJRN-YBHSYVBASA-N

DeepSMILES:
OC[C@@H]OC[C@@H][C@@H]6O))O))C)))OcccOCCC=O)c6cc%10)O)))))cccccc6))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: 2.171

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Chemical structure download