Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018130

Phytochemical name: 2-(4-Methylcyclohexyl)prop-2-en-1-ol

Synonymous chemical names:
2-(4-Methylcyclohexyl)prop-2-en-1-ol

External chemical identifiers:
CID:CID_543946

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Chemical structure information

SMILES:
OCC(=C)C1CCC(CC1)C

InChI:
InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h8,10-11H,2-7H2,1H3

InChIKey:
RYBQTIMCBUUSQQ-UHFFFAOYSA-N

DeepSMILES:
OCC=C)CCCCCC6))C

Functional groups:
CO, 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: 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: 1.397

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Chemical structure download