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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607712
CHEMBL607712
Compound Name 4-HYDROXYPHENYLPYRUVIC ACID
ChEMBL Synonyms 4-Hydroxy-Phenylpyruvate | 4-Hydroxyphenylpyruvate
Max Phase 0
Trade Names
Molecular Formula C9H8O4

Additional synonyms for CHEMBL607712 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=O)Cc1ccc(O)cc1
Standard InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H ...
Download InChI
Standard InChI Key KKADPXVIOXHVKN-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL607712

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
180.2 180.0423 1.13 3 74.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.5 - -.51 -4.23 1 13 0.68

Structural Alerts

There are 7 structural alerts for CHEMBL607712. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KKADPXVIOXHVKN-UHFFFAOYSA-N
Wikipedia 4-Hydroxyphenylpyruvic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607712



ACToR 9080-29-9 156-39-8
ChEBI 15999
DrugBank DB07718
eMolecules 478955
EPA CompTox Dashboard DTXSID80166017
FDA SRS 0YP1694WNQ
Guide to Pharmacology 6629
Human Metabolome Database HMDB00707
IBM Patent System 92357CFEA4093A182CA3E4976AB6DBA6
KEGG Ligand C01179
Mcule MCULE-7014208403
MolPort MolPort-001-792-014
Nikkaji J101.877I
PDBe ENO
PubChem 979
PubChem: Thomson Pharma 15120609
SureChEMBL SCHEMBL24157

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