Summary

IMPPAT Phytochemical identifier: IMPHY013941

Phytochemical name: Cyclohexaneethanol, beta,4-dimethyl-, cis-

Synonymous chemical names:
artemisol

External chemical identifiers:
CID:346868, SureChEMBL:SCHEMBL1270592

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Chemical structure information

SMILES:
OCC(C1CCC(CC1)C)C

InChI:
InChI=1S/C10H20O/c1-8-3-5-10(6-4-8)9(2)7-11/h8-11H,3-7H2,1-2H3

InChIKey:
GOKHLKYATMBASR-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCC6))C)))))C

Functional groups:
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, Monocyclic monoterpenoids

NP-Likeness score: 0.864

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Chemical structure download