Summary

IMPPAT Phytochemical identifier: IMPHY014637

Phytochemical name: 2',4',4'-Tri-hydroxy-chalcone

Synonymous chemical names:
2',4',4-tri-oh-chalcone

External chemical identifiers:
CID:129664472

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Chemical structure information

SMILES:
O/C(=C1/C=CC(CC1=O)(O)O)/C=Cc1ccccc1

InChI:
InChI=1S/C15H14O4/c16-13(7-6-11-4-2-1-3-5-11)12-8-9-15(18,19)10-14(12)17/h1-9,16,18-19H,10H2/b7-6?,13-12-

InChIKey:
OVLXQOKTMOXPHQ-YIIQQPPASA-N

DeepSMILES:
O/C=C/C=CCCC/6=O)))O)O)))))/C=Ccccccc6

Functional groups:
cC=C/C(O)=C1C=CC(O)(O)CC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC=CC1=CC=Cc1ccccc1

Scaffold Graph/Node level:
OC1CCCCC1CCCC1CCCCC1

Scaffold Graph level:
CC1CCCCC1CCCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.83

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Chemical structure download