Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018102

Phytochemical name: 6-Isopropyl-3-methyl-1-cyclohexen-1-ol

Synonymous chemical names:
6-Isopropyl-3-methyl-1-cyclohexen-1-ol

External chemical identifiers:
Molport-001-779-737

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Chemical structure information

SMILES:
CC1CCC(C(=C1)O)C(C)C

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-9,11H,4-5H2,1-3H3

InChIKey:
CCJSKHHLZKFPGH-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C6)O))CC)C

Functional groups:
CC=C(O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: 1.934

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Chemical structure download