ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL120697
CHEMBL120697
Compound Name GAMMA-TOCOTRIENOL
ChEMBL Synonyms Gamma-Tocotrienol
Max Phase 0
Trade Names
Molecular Formula C28H42O2

Additional synonyms for CHEMBL120697 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CC\C(=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)\C)\C)C
Standard InChI InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17 ...
Download InChI
Standard InChI Key OTXNTMVVOOBZCV-WAZJVIJMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL120697

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
410.6 410.3185 9.2 9 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.05 - 9.46 9.46 1 30 0.41

Structural Alerts

There are 2 structural alerts for CHEMBL120697. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OTXNTMVVOOBZCV-WAZJVIJMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL120697



ACToR 14101-61-2
Brenda 192414
ChEBI 33277
eMolecules 28293238
FDA SRS 185QAE24TR
Human Metabolome Database HMDB0012958
KEGG Ligand C14155
LipidMaps LMPR02020057
Metabolights MTBLC33277
MolPort MolPort-039-139-076
Nikkaji J13.903C
PubChem 5282349
PubChem: Thomson Pharma 16257626 14879726
Rhea 33277
SureChEMBL SCHEMBL3272929
ZINC ZINC000003791929

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OTXNTMVVOOBZCV-WAZJVIJMSA-N spacer
spacer