Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000220

Phytochemical name: gamma-Terpinene

Synonymous chemical names:
y•terpinene, Terpinene, gamma-, yterpinene, γ-terpinene, terpinene,gamma-, gamma terpinene, y- terpinene, γ-terpinene*, crithmene, gamma-terpinene, terpinene, gamma, y•terplnene, gamma-Terpinene, gamma-terpinene*, /-terpinene, γ- terpinene

External chemical identifiers:
CID:CID_7461, ChEMBL:CHEMBL449693, ChEBI:CHEBI:10577, ZINC:ZINC000000967594, FDASRS:4YGF4PQP49, SureChEMBL:SCHEMBL60706, MolPort-003-928-067

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Chemical structure information

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

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3

InChIKey:
YKFLAYDHMOASIY-UHFFFAOYSA-N

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

Functional groups:
CC=C(C)C

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS088601

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.518

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Chemical structure download