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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32749
CHEMBL32749
Compound Name FERULIC ACID
ChEMBL Synonyms Ferulic acid
Max Phase 0
Trade Names
Molecular Formula C10H10O4

Additional synonyms for CHEMBL32749 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(\C=C\C(=O)O)ccc1O
Standard InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,1 ...
Download InChI
Standard InChI Key KSEBMYQBYZTDHS-HWKANZROSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL32749

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
194.2 194.0579 1.67 3 66.76 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
4.58 - .96 -2.1 1 14 0.72

Structural Alerts

There are 4 structural alerts for CHEMBL32749. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KSEBMYQBYZTDHS-HWKANZROSA-N
PubChem SID: 26748470 SID: 47193700 SID: 69416
Wikipedia Ferulic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32749



ACToR 537-98-4 1135-24-6 97274-61-8
BindingDB 50214744
Brenda 452 34786 67212 1047 93383 126827 95929 30600 24245 45165
ChEBI 17620
DrugBank DB07767
eMolecules 480325
FDA SRS AVM951ZWST
Human Metabolome Database HMDB0000954
IBM Patent System E97683CF06DED41E83A7F9BC6973B389
KEGG Ligand C01494
LINCS LSM-44126
Mcule MCULE-8442047802
Metabolights MTBLC17620
MolPort MolPort-000-490-395
Nikkaji J7.273G J14.707I
PDBe FER
PubChem 445858
PubChem: Drugs of the Future 125299308
PubChem: Thomson Pharma 15322326
Selleck Fumalic-acid(Ferulic-acid)
SureChEMBL SCHEMBL15673
ZINC ZINC000000058258

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