Details of the Drug

General Information of Drug (ID: DMOQKJ0)

Drug Name
Gamma-tocotrienol
Synonyms Gamma-T3; Gamma-tocotrienol (prostate cancer); Gamma-tocotrienol (prostate cancer), Davos Life Science
Indication
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C28H42O2
Canonical SMILES
CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O
InChI
1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
InChIKey
OTXNTMVVOOBZCV-WAZJVIJMSA-N
Cross-matching ID
PubChem CID
5282349
ChEBI ID
CHEBI:33277
CAS Number
14101-61-2
TTD ID
D09YBF

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.