Summary

IMPPAT Phytochemical identifier: IMPHY014695

Phytochemical name: (-)-Terpinen-4-ol

Synonymous chemical names:
(-)-terpinen-4-ol, (r)-p-menth-1-en-4-ol, (−)-terpinen-4-ol

External chemical identifiers:
CID:5325830, ChEMBL:CHEMBL2287509, ZINC:ZINC000004262096, FDASRS:8VI196VS5T, SureChEMBL:SCHEMBL13180470, MolPort-009-756-326

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Chemical structure information

SMILES:
CC1=CC[C@@](CC1)(O)C(C)C

InChI:
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1

InChIKey:
WRYLYDPHFGVWKC-JTQLQIEISA-N

DeepSMILES:
CC=CC[C@@]CC6))O)CC)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: 2.998

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Chemical structure download