Details of the Drug

General Information of Drug (ID: DMBTIY7)

Drug Name
(-)-alpha-thujone
Synonyms alpha-thujone
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C10H16O
Canonical SMILES
CC1C2CC2(CC1=O)C(C)C
InChI
1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
InChIKey
USMNOWBWPHYOEA-MRTMQBJTSA-N
Cross-matching ID
PubChem CID
261491
ChEBI ID
CHEBI:9577
CAS Number
546-80-5
TTD ID
D0TV0V

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5344).