Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018245

Phytochemical name: Crotonophenone

Synonymous chemical names:
Crotonophenone

External chemical identifiers:
CID:CID_231934, ZINC:ZINC000005606416, FDASRS:S8003HHM9W, SureChEMBL:SCHEMBL314324, Molport-008-751-138|Molport-002-496-923

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Chemical structure information

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

InChI:
InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+

InChIKey:
FUJZJBCWPIOHHN-QHHAFSJGSA-N

DeepSMILES:
C/C=C/C=O)cccccc6

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

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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: 0.243

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Chemical structure download