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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2151591
CHEMBL2151591
Compound Name
ChEMBL Synonyms Gamma-Tocopherol
Max Phase 0
Trade Names
Molecular Formula C28H48O2

Additional synonyms for CHEMBL2151591 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O ...
Download SMILES
Standard InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17 ...
Download InChI
Standard InChI Key QUEDXNHFTDJVIY-DQCZWYHMSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2151591

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
416.7 416.3654 8.53 12 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 - 10.72 10.72 1 30 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL2151591. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QUEDXNHFTDJVIY-DQCZWYHMSA-N
PubChem SID: 144207108

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2151591



Brenda 8106
ChEBI 18185
ChemicalBook CB31074308
eMolecules 532463 31231870
EPA CompTox Dashboard DTXSID9049031
FDA SRS 8EF1Z1238F
IBM Patent System D8A95F9816B6592451BC2CEACA2C554F
KEGG Ligand C02483
LipidMaps LMPR02020065
Metabolights MTBLC18185
Nikkaji J213.540J
PubChem 92729
PubChem: Thomson Pharma 24761699
Recon yvite
Rhea 18185
SureChEMBL SCHEMBL120346
ZINC ZINC000004284471

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