Summary

IMPPAT Phytochemical identifier: IMPHY001817

Phytochemical name: p-Menth-3-en-1-ol

Synonymous chemical names:
1-terpineol, p-menth-3-en-1-ol, p-menth-3-en-1-ol*, terpin-1-ol, terpinen- 1-0l, terpinen-1-ol, terpinenol

External chemical identifiers:
CID:11468, FDASRS:E09RQ2NK3G, SureChEMBL:SCHEMBL1245680

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3

InChIKey:
XJWZDXFFNOMMTD-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCCC6))C)O)))))C

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

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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, Monocyclic monoterpenoids

NP-Likeness score: 2.906

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Chemical structure download