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ChEMBL Statistics
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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:OTXNTMVVOOBZCV-WAZJVIJMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL120697



ACToR 14101-61-2
ChEBI 33277
eMolecules 28293238
FDA SRS 185QAE24TR
Human Metabolome Database HMDB12958
KEGG Ligand C14155
Nikkaji J13.903C
PubChem 5282349
PubChem: Thomson Pharma 16257626 14879726
SureChEMBL SCHEMBL3272929
ZINC ZINC03791929

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