Summary

IMPPAT Phytochemical identifier: IMPHY009385

Phytochemical name: (Z)-3-methoxy-1,3-diphenylprop-2-en-1-one

Synonymous chemical names:
beta methoxychalcone

External chemical identifiers:
CID:12634404, SureChEMBL:SCHEMBL14852715

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Chemical structure information

SMILES:
CO/C(=CC(=O)c1ccccc1)/c1ccccc1

InChI:
InChI=1S/C16H14O2/c1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-12H,1H3/b16-12-

InChIKey:
RVQNURJXQZPKEH-VBKFSLOCSA-N

DeepSMILES:
CO/C=CC=O)cccccc6))))))))/cccccc6

Functional groups:
cC(=O)/C=C(/c)OC

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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: 0.385

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Chemical structure download