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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65675
CHEMBL65675
Compound Name GALLIC ACID METHYL ESTER
ChEMBL Synonyms Methyl Galloate | Methyl Gallate | 3,4,5-Trihydroxy-Benzoic Acid Methyl Ester | Methyl 3,4,5-Trihydroxybenzoate | Gallic Acid Methyl Ester
Max Phase 0
Trade Names
Molecular Formula C8H8O5

Additional synonyms for CHEMBL65675 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1cc(O)c(O)c(O)c1
Standard InChI InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H, ...
Download InChI
Standard InChI Key FBSFWRHWHYMIOG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65675

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
184.2 184.0372 0.59 1 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.04 - .76 .64 1 13 0.44

Structural Alerts

There are 6 structural alerts for CHEMBL65675. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBSFWRHWHYMIOG-UHFFFAOYSA-N
PubChem SID: 22405496

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65675



ACToR 99-24-1
BindingDB 50187133
Brenda 114577 1402 93429 30179 96779
ChemicalBook CB0265566
eMolecules 493735
EPA CompTox Dashboard DTXSID3059189
FDA SRS 623D3XG80C
IBM Patent System DC7EB4F86725E79AAC3536C297EB00E9
Mcule MCULE-4626719858
MolPort MolPort-000-881-378
Nikkaji J4.967K
NMRShiftDB 20096810
PubChem 7428
PubChem: Thomson Pharma 14891881
SureChEMBL SCHEMBL39513
ZINC ZINC000000021789

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