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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1432
CHEMBL1432
Compound Name 2,3-DIHYDROXYBENZOIC ACID
ChEMBL Synonyms 2,3-Dihydroxybenzoicacid | 2,3-Dihydroxybenzoic Acid
Max Phase 0
Trade Names
Molecular Formula C7H6O4

Additional synonyms for CHEMBL1432 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccc(O)c1O
Standard InChI InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,1 ...
Download InChI
Standard InChI Key GLDQAMYCGOIJDV-UHFFFAOYSA-N

Sources

  • Curated Drug Metabolism Pathways
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1432

Metabolites for CHEMBL1432

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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
154.1 154.0266 0.98 1 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.96 - 1.62 -1.53 1 11 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL1432. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GLDQAMYCGOIJDV-UHFFFAOYSA-N
PubChem SID: 47193697
Wikipedia 2,3-Dihydroxybenzoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1432



ACToR 27138-57-4 303-38-8
BindingDB 92456
Brenda 39133 1367 3773
ChEBI 18026
DrugBank DB01672
eMolecules 479939
EPA CompTox Dashboard DTXSID70858712
FDA SRS 70D5FBB392
Human Metabolome Database HMDB00397
IBM Patent System DABD1A986039C64190F2B5B9EF04FD8F
KEGG Ligand C00196
Mcule MCULE-5691151631
Metabolights MTBLC18026
MolPort MolPort-001-756-832
Nikkaji J79.590I
NMRShiftDB 20035558
PDBe DBH
PubChem 19
PubChem: Thomson Pharma 14772341
SureChEMBL SCHEMBL37458
ZINC ZINC000000388166

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