Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009030

Phytochemical name: (-)-alpha-Terpineol

Synonymous chemical names:
terpineol, alpha, (-), (-)-α-terpineol, terpineol, alpha (-)

External chemical identifiers:
CID:CID_443162, ChEMBL:CHEMBL447597, ChEBI:CHEBI:128, ZINC:ZINC000000967595, FDASRS:21M14KDA67, SureChEMBL:SCHEMBL980991, MolPort-003-932-718

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Chemical structure information

SMILES:
CC1=CC[C@H](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/t9-/m1/s1

InChIKey:
WUOACPNHFRMFPN-SECBINFHSA-N

DeepSMILES:
CC=CC[C@H]CC6))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