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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 | n-dodecylgallate | E312
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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

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 #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
338.4 338.2093 5.94 1 13 No No NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
7.93 - 6.37 6.22 1 24 3 0.24

Compound Cross References

ChemSpider ChemSpider:RPWFJAMTCNSJKK-UHFFFAOYSA-N
Wikipedia Dodecyl_gallate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16121



eMolecules 514239
IBM Patent System B3E3C2402E5AFC9BA87B72C57B33793B
Patent EP0648114B1 WO2000032191A1 EP0420893B1 US5885600 US5629130 US4460674 US3988110 EP0546237A1 US5084395 EP0673245B1 EP0674484B1 EP0036135A2 WO1998037778A1 US5853753 EP0125034A1 US4845072 US4756950 US3983279 EP0686026B1 EP0516006B1 US5567437 US5258427 WO2000077235A1 EP0335262B1 US4425327 EP0648114A1 EP0335262A2 EP0458521A3 EP0633017A2 US4963457 WO1999011718A1 EP0751006B1 US5008238 EP0751006A1 US4971918 US5520905 US4731354 US4795643 EP0686026A1 WO2000051643A1 US5338549 US5106581 US5750563 US4983569 US4602265 EP0633017B1 US5266608 US5300257 EP0466552B1
FDA SRS 45612DY463
Human Metabolome Database HMDB38720
PubChem: Thomson Pharma 15324125
PubChem 14425
Mcule MCULE-2416501697

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