Summary

IMPPAT Phytochemical identifier: IMPHY012165

Phytochemical name: Sabinene

Synonymous chemical names:
4 (10)-thujene, 4(10)-thujene, sab i nene, sabibene, sabinen, sabinene, sabinene = xanthoxylene, sabinene*, sabinene+, sahinene, thuj-4(10)-ene

External chemical identifiers:
CID:18818, ChEMBL:CHEMBL452687, ChEBI:50027, SureChEMBL:SCHEMBL60243, MolPort-006-115-296

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Chemical structure information

SMILES:
C=C1CCC2(C1C2)C(C)C

InChI:
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3

InChIKey:
NDVASEGYNIMXJL-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC5C3))CC)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC12

Scaffold Graph/Node level:
CC1CCC2CC12

Scaffold Graph level:
CC1CCC2CC12

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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: Thujane monoterpenoids

NP-Likeness score: 3.303

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Chemical structure download