Summary

IMPPAT Phytochemical identifier: IMPHY007105

Phytochemical name: Dihydrochalcone

Synonymous chemical names:
dihydrochalcone

External chemical identifiers:
CID:64802, ChEMBL:CHEMBL490512, ChEBI:71231, ZINC:ZINC000001089845, FDASRS:H5W525SX7Q, SureChEMBL:SCHEMBL30572, MolPort-000-861-100

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Chemical structure information

SMILES:
O=C(c1ccccc1)CCc1ccccc1

InChI:
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChIKey:
QGGZBXOADPVUPN-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6))))))CCcccccc6

Functional groups:
cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)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: -0.147

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Chemical structure download