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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL328910
CHEMBL328910
Compound Name 2,4-DIHYDROXYBENZOIC ACID
ChEMBL Synonyms 2,4-Dihydroxybenzoic Acid | Beta-Resorcylic Acid | 2,4-Dihydroxy-Benzoic Acid
Max Phase 0
Trade Names
Molecular Formula C7H6O4

Additional synonyms for CHEMBL328910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccc(O)cc1O
Standard InChI InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,1 ...
Download InChI
Standard InChI Key UIAFKZKHHVMJGS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL328910

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
3.33 - 1.77 -1.39 1 11 0.56

Structural Alerts

There are no structural alerts for CHEMBL328910

Compound Cross References

ChemSpider ChemSpider:UIAFKZKHHVMJGS-UHFFFAOYSA-N
PubChem SID: 144209669 SID: 17389146 SID: 17389389 SID: 56314872
Wikipedia 2,4-Dihydroxybenzoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL328910



ACToR 89-86-1
BindingDB 74208
Brenda 12297 39134
DrugBank DB02839
eMolecules 502529
EPA CompTox Dashboard DTXSID0025074
FDA SRS LU39SC9JYL
Human Metabolome Database HMDB0029666
IBM Patent System D6EBDBB35D8B85F2A7E418A5CB6FFD01
Mcule MCULE-8411449236
MolPort MolPort-001-641-037
Nikkaji J4.310I
NMRShiftDB 20035560
PDBe DOB
PubChem 1491
PubChem: Thomson Pharma 15219286
SureChEMBL SCHEMBL28080
ZINC ZINC000000388544

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