Summary

IMPPAT Phytochemical identifier: IMPHY001692

Phytochemical name: 2,4'-Dihydroxy-4-methoxydihydrochalcone

Synonymous chemical names:
24-dihydroxy-4-methoxydihydrochalcone

External chemical identifiers:
CID:14157883, ChEMBL:CHEMBL1081513, SureChEMBL:SCHEMBL4316064

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)CCC(=O)c1ccc(cc1)O

InChI:
InChI=1S/C16H16O4/c1-20-14-8-4-12(16(19)10-14)5-9-15(18)11-2-6-13(17)7-3-11/h2-4,6-8,10,17,19H,5,9H2,1H3

InChIKey:
RORZHTZYZDZJKG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))CCC=O)cccccc6))O

Functional groups:
cC(C)=O, cO, cOC

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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: 0.35

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Chemical structure download