Summary

IMPPAT Phytochemical identifier: IMPHY012160

Phytochemical name: alpha-Terpineol

Synonymous chemical names:
*α-terpineol, a-terpineol⁄, alpha -terpineol, alpha terpineol, alpha- terpineol, alpha-terpineol, alpha-terpineol*, aterpineol, a–terpineol, p-menth-1-en-8-ol, terpineol, terpineol,alpha-, α -terpineol, α – terpineol, α- terpineol, α-tepineol, α-terpeneol, α-terpineol, α-terpineol (6), α-terpineol1, αααα-terpineol

External chemical identifiers:
CID:17100, ChEMBL:CHEMBL449810, ChEBI:22469, FDASRS:21334LVV8W, SureChEMBL:SCHEMBL28466, MolPort-002-042-108

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Chemical structure information

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

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

InChIKey:
WUOACPNHFRMFPN-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))CO)C)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: 2.436

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Chemical structure download