Summary

IMPPAT Phytochemical identifier: IMPHY017186

Phytochemical name: 4-Ethylstyrene

Synonymous chemical names:
4-ethyl styrene

External chemical identifiers:
CID:18940, ZINC:ZINC000059208894, FDASRS:ZKX7MV36HU, SureChEMBL:SCHEMBL15915, MolPort-006-115-357

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Chemical structure information

SMILES:
CCc1ccc(cc1)C=C

InChI:
InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3

InChIKey:
WHFHDVDXYKOSKI-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))C=C

Functional groups:
cC=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: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: -0.173

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Chemical structure download