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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 E312 | n-dodecylgallate | Dodecyl 3,4,5-trihydroxybenzoate
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

Structural Alerts

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

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

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
eMolecules 514239
FDA SRS 45612DY463
Human Metabolome Database HMDB38720
IBM Patent System B3E3C2402E5AFC9BA87B72C57B33793B
Mcule MCULE-2416501697
MolPort MolPort-001-786-750
Nikkaji J87.850B
PubChem 14425
PubChem: Thomson Pharma 15324125
SureChEMBL SCHEMBL36820

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