Summary

IMPPAT Phytochemical identifier: IMPHY007267

Phytochemical name: beta-Terpinene

Synonymous chemical names:
beta-terpinene, terpinene, beta, terpinene,beta-, β-terpinen, β-terpinene

External chemical identifiers:
CID:66841, ChEBI:59159, FDASRS:DV74J5RW4Y, SureChEMBL:SCHEMBL337781

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Chemical structure information

SMILES:
C=C1CCC(=CC1)C(C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3

InChIKey:
SCWPFSIZUZUCCE-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=CC6))CC)C

Functional groups:
C=C(C)C, CC=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 Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.647

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Chemical structure download