Summary

IMPPAT Phytochemical identifier: IMPHY013181

Phytochemical name: 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone

Synonymous chemical names:
2',4'-dihydroxy-6'-methoxy-3'-prenylchalcone, 2',4'-dihydroxy-6'-methoxy-3'-prenylchcone

External chemical identifiers:
CID:14188385, ZINC:ZINC000014819175

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Chemical structure information

SMILES:
COc1cc(O)c(c(c1C(=O)/C=C/c1ccccc1)O)CC=C(C)C

InChI:
InChI=1S/C21H22O4/c1-14(2)9-11-16-18(23)13-19(25-3)20(21(16)24)17(22)12-10-15-7-5-4-6-8-15/h4-10,12-13,23-24H,11H2,1-3H3/b12-10+

InChIKey:
GAIPTWIUKUYUNA-ZRDIBKRKSA-N

DeepSMILES:
COcccO)ccc6C=O)/C=C/cccccc6))))))))))O))CC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.509

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Chemical structure download