Summary

IMPPAT Phytochemical identifier: IMPHY014894

Phytochemical name: (+)-Sabinene

Synonymous chemical names:
d-sabinene, α-sabinene

External chemical identifiers:
CID:10887971, ChEBI:50029, ZINC:ZINC000001599725, FDASRS:XYL0G8758O, SureChEMBL:SCHEMBL3652402

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Chemical structure information

SMILES:
C=C1CC[C@]2([C@@H]1C2)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/t9-,10-/m1/s1

InChIKey:
NDVASEGYNIMXJL-NXEZZACHSA-N

DeepSMILES:
C=CCC[C@][C@@H]5C3))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