Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000615

Phytochemical name: alpha-Terpinene

Synonymous chemical names:
terpincne, alpha-, terpinene,alpha-, a-terpinene, alpha-Terpinene, alpha-terpinene*, terpinene,alpha, Terpinene, alpha-, α-terpinene, terpenene, alpha terpinene, α-- terpinene, alpha-terpinene, 1-terpinene, *α-terpinene, (α-terpinene), terpinene

External chemical identifiers:
CID:CID_7462, ChEMBL:CHEMBL2251642, ChEBI:CHEBI:10334, ZINC:ZINC000000967593, FDASRS:I24X278AP1, SureChEMBL:SCHEMBL44644, MolPort-003-928-066

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Chemical structure information

SMILES:
CC1=CC=C(CC1)C(C)C

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

InChIKey:
YHQGMYUVUMAZJR-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CCC6))CC)C

Functional groups:
CC1=CC=C(C)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

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: Monocyclic monoterpenoids

NP-Likeness score: 2.528

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Chemical structure download