Summary

IMPPAT Phytochemical identifier: IMPHY014395

Phytochemical name: (2e)-1-(2-Hydroxyphenyl) pent-2-en-1-one

Synonymous chemical names:
(2e)-1-(2-hydroxyphenyl)pent-2-en-1-one

External chemical identifiers:
CID:25172739

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Chemical structure information

SMILES:
CC/C=C/C(=O)c1ccccc1O

InChI:
InChI=1S/C11H12O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h3-8,13H,2H2,1H3/b7-3+

InChIKey:
WRWGNSMADIXJSF-XVNBXDOJSA-N

DeepSMILES:
CC/C=C/C=O)cccccc6O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.801

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Chemical structure download