Summary

IMPPAT Phytochemical identifier: IMPHY012358

Phytochemical name: 6-Prenylnaringenin

Synonymous chemical names:
6-prenylnaringenin, naringenin,6-prenyl

External chemical identifiers:
CID:155094, ChEBI:27566, ZINC:ZINC000004098363, FDASRS:7342WYG80Y, SureChEMBL:SCHEMBL145714, MolPort-039-339-002

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccc(cc1)O)C

InChI:
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1

InChIKey:
YHWNASRGLKJRJJ-KRWDZBQOSA-N

DeepSMILES:
CC=CCccO)cccc6O))C=O)C[C@H]O6)cccccc6))O)))))))))))))))C

Functional groups:
CC=C(C)C, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.181

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Chemical structure download