Summary

IMPPAT Phytochemical identifier: IMPHY002538

Phytochemical name: 8-Prenyl-5,7-dimethoxyflavanone

Synonymous chemical names:
candidone

External chemical identifiers:
CID:14033978

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Chemical structure information

SMILES:
COc1cc(OC)c2c(c1CC=C(C)C)OC(CC2=O)c1ccccc1

InChI:
InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3

InChIKey:
JYESOAFLKFHYHP-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6CC=CC)C)))))OCCC6=O)))cccccc6

Functional groups:
CC=C(C)C, cC(C)=O, 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: 1.758

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Chemical structure download