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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1451395
CHEMBL1451395
Compound Name E309
ChEMBL Synonyms E309
Max Phase 0
Trade Names
Molecular Formula C27H46O2

Additional synonyms for CHEMBL1451395 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)cc(C)c2O1
Standard InChI InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16- ...
Download InChI
Standard InChI Key GZIFEOYASATJEH-VHFRWLAGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1451395

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
402.7 402.3498 9.47 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
10.7 - 10.49 10.49 1 29 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL1451395. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZIFEOYASATJEH-VHFRWLAGSA-N
PubChem SID: 144205494 SID: 144206758 SID: 29216313
Wikipedia Delta-Tocopherol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1451395



Brenda 10634
ChEBI 47772
eMolecules 29541225 513376
EPA CompTox Dashboard DTXSID1046263
FDA SRS JU84X1II0N
Human Metabolome Database HMDB0002902
IBM Patent System B4A63F159DEEE4CD591F20294E51F06D
KEGG Ligand C14151
LipidMaps LMPR02020066
Metabolights MTBLC47772
Nikkaji J5.309K
PubChem 92094
PubChem: Thomson Pharma 16173913
Rhea 47772
SureChEMBL SCHEMBL886921
ZINC ZINC000004215541

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