Summary

IMPPAT Phytochemical identifier: IMPHY007056

Phytochemical name: 2-Prop-1-enyl-p-cymene

Synonymous chemical names:
1-methyl-4-(1-propenyl)-benzene

External chemical identifiers:
CID:84398, ChEBI:88593

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Chemical structure information

SMILES:
CC=Cc1cc(ccc1C)C(C)C

InChI:
InChI=1S/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3

InChIKey:
IRICXAFZMINCTB-UHFFFAOYSA-N

DeepSMILES:
CC=Ccccccc6C))))CC)C

Functional groups:
cC=CC

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.034

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Chemical structure download