Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000227

Phytochemical name: alpha-Terpineol

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

External chemical identifiers:
CID:CID_17100, ChEMBL:CHEMBL449810, ChEBI: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:
CO, CC=C(C)C

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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