Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000414

Phytochemical name: Terpinolene

Synonymous chemical names:
alpha-terpinolene, delta-terpinene, terpinolene, Terpineolene, Terpinolene, terpeneolene, terpinolcnc, terpinolen, terpinolene +, α-terpinolene, terpinolene+, terpionolene, terpinolene, alpha, isoterpinene, *terpinolene, terpino lene, α- terpinolene

External chemical identifiers:
CID:CID_11463, ChEMBL:CHEMBL454697, ChEBI:CHEBI:9457, ZINC:ZINC000000968225, FDASRS:N9830X5KSL, SureChEMBL:SCHEMBL61306, MolPort-003-932-579

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Chemical structure information

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

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3

InChIKey:
MOYAFQVGZZPNRA-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=CC)C))CC6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=CCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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-Likeness score: 2.581

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Chemical structure download