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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL120276
CHEMBL120276
Compound Name ALPHA-TOCOTRIENOL
ChEMBL Synonyms Alpha-Tocotrienol
Max Phase 0
Trade Names
Molecular Formula C29H44O2

Additional synonyms for CHEMBL120276 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CC\C(=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)\C)\ ...
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Standard InChI InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-1 ...
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Standard InChI Key RZFHLOLGZPDCHJ-XZXLULOTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL120276

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
424.7 424.3341 9.69 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
11.4 - 9.7 9.7 1 31 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL120276. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RZFHLOLGZPDCHJ-XZXLULOTSA-N
Wikipedia Alpha-Tocotrienol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL120276



ACToR 58864-81-6
Brenda 164156
ChEBI 33270
eMolecules 28293242
FDA SRS B6LXL1832Y
Human Metabolome Database HMDB0006327
IBM Patent System CF5196562B8D39945E81AECDB2210820
KEGG Ligand C14153
LipidMaps LMPR02020054
Metabolights MTBLC33270
MolPort MolPort-039-139-046
Nikkaji J1.455.578A
PubChem 5282347
PubChem: Thomson Pharma 14856212
Recon avite2
Rhea 33270
SureChEMBL SCHEMBL242672
ZINC ZINC000004655034

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