Summary

IMPPAT Phytochemical identifier: IMPHY007442

Phytochemical name: 5-Methyl-2-propan-2-ylcyclohexa-2,4-dien-1-ol

Synonymous chemical names:
1-terpinen-5-ol

External chemical identifiers:
CID:91752234, SureChEMBL:SCHEMBL19337390

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Chemical structure information

SMILES:
CC1=CC=C(C(C1)O)C(C)C

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,7,10-11H,6H2,1-3H3

InChIKey:
MVECHHOAGKYODO-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CCC6)O))CC)C

Functional groups:
CC1=CC=C(C)CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

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: Monocyclic monoterpenoids

NP-Likeness score: 2.683

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Chemical structure download