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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16121
CHEMBL16121
Compound Name DODECYL GALLATE
ChEMBL Synonyms Dodecyl 3,4,5-trihydroxybenzoate | E312 | n-dodecylgallate
Max Phase 0
Trade Names
Molecular Formula C19H30O5

Additional synonyms for CHEMBL16121 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
Standard InChI InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13 ...
Download InChI
Standard InChI Key RPWFJAMTCNSJKK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16121

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
338.4 338.2093 5.94 13 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 5 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.93 - 6.37 6.22 1 24 0.24

Structural Alerts

There are 15 structural alerts for CHEMBL16121. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RPWFJAMTCNSJKK-UHFFFAOYSA-N
PubChem SID: 144209922 SID: 144213796
Wikipedia Dodecyl_gallate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16121



ACToR 1166-52-5
BindingDB 50093887
Brenda 206122 161467 13201
eMolecules 514239
EPA CompTox Dashboard DTXSID0048189
FDA SRS 45612DY463
Human Metabolome Database HMDB0038720
IBM Patent System B3E3C2402E5AFC9BA87B72C57B33793B
Mcule MCULE-2416501697
MolPort MolPort-001-786-750
Nikkaji J87.850B
PubChem 14425
PubChem: Thomson Pharma 15324125
SureChEMBL SCHEMBL36820
ZINC ZINC000033861415

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