Summary

IMPPAT Phytochemical identifier: IMPHY016573

Phytochemical name: [4-(Prop-1-en-2-yl)cyclohexyl]methanol

Synonymous chemical names:
cis-isopulegone

External chemical identifiers:
CID:519954, SureChEMBL:SCHEMBL3129182

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Chemical structure information

SMILES:
OCC1CCC(CC1)C(=C)C

InChI:
InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3

InChIKey:
GMYHXOPIKMGWOM-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC6))C=C)C

Functional groups:
C=C(C)C, CO

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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: 1.18

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Chemical structure download