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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1284
CHEMBL1284
Compound Name 3,4-DIHYDROXYPHENYLACETIC ACID
ChEMBL Synonyms 3,4-Dihydroxyphenylacetic Acid (Dopac)
Max Phase 0
Trade Names
Molecular Formula C8H8O4

Additional synonyms for CHEMBL1284 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1ccc(O)c(O)c1
Standard InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2 ...
Download InChI
Standard InChI Key CFFZDZCDUFSOFZ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1284

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
168.2 168.0423 1.01 2 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
4.42 - .31 -2.69 1 12 0.58

Structural Alerts

There are 2 structural alerts for CHEMBL1284. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CFFZDZCDUFSOFZ-UHFFFAOYSA-N
PubChem SID: 11111112 SID: 124879971 SID: 26732626 SID: 26753554 SID: 50106188 SID: 85231019 SID: 90341470
Wikipedia 3,4-Dihydroxyphenylacetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1284



ACToR 102-32-9
BindingDB 52946
ChEBI 41941
DrugBank DB01702
eMolecules 502826
EPA CompTox Dashboard DTXSID9074430
FDA SRS KEX5N0R4N5
Human Metabolome Database HMDB01336
IBM Patent System F0F7800D124004F2D63275D810A67C88
KEGG Ligand C01161
Mcule MCULE-3883489471
MolPort MolPort-001-790-954
Nikkaji J804D
NMRShiftDB 20039580
PDBe DHY
PubChem 547
PubChem: Thomson Pharma 15339635
SureChEMBL SCHEMBL36348

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