Summary

IMPPAT Phytochemical identifier: IMPHY007053

Phytochemical name: Dibenzoylmethane

Synonymous chemical names:
dibenzoylmethane

External chemical identifiers:
CID:8433, ChEMBL:CHEMBL371523, ChEBI:75417, ZINC:ZINC000004530702, FDASRS:ANS7ME8OKC, SureChEMBL:SCHEMBL39582, MolPort-001-759-976

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Chemical structure information

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

InChI:
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2

InChIKey:
NZZIMKJIVMHWJC-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6))))))CC=O)cccccc6

Functional groups:
cC(C)=O

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Molecular scaffolds

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

Scaffold Graph/Node level:
OC(CC(O)C1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CC(C)C1CCCCC1)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: -0.134

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Chemical structure download