Summary

IMPPAT Phytochemical identifier: IMPHY017349

Phytochemical name: 4-Methyl-trans-beta-methylstyrene

Synonymous chemical names:
4-propenylphenol

External chemical identifiers:
CID:5314058, ZINC:ZINC000079185680, SureChEMBL:SCHEMBL272755

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Chemical structure information

SMILES:
C/C=C/c1ccc(cc1)C

InChI:
InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+

InChIKey:
LSMSSYSRCUNIFX-ONEGZZNKSA-N

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

Functional groups:
c/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: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.138

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Chemical structure download