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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL27246
CHEMBL27246
Compound Name CINNAMIC ACID
ChEMBL Synonyms Cinnamic Acid | 3-Phenylacrylic Acid | E-Cinnamic Acid | (E)-Cinnamic Acid | Trans-Cinnamic Acid
Max Phase 0
Trade Names
Molecular Formula C9H8O2

Additional synonyms for CHEMBL27246 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)\C=C\c1ccccc1
Standard InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b ...
Download InChI
Standard InChI Key WBYWAXJHAXSJNI-VOTSOKGWSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL27246

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
148.2 148.0524 1.93 2 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.34 - 1.21 -1.77 1 11 0.65

Structural Alerts

There are 4 structural alerts for CHEMBL27246. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WBYWAXJHAXSJNI-VOTSOKGWSA-N
PubChem SID: 144212454
Wikipedia Cinnamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL27246



ACToR 621-82-9 140-10-3
BindingDB 16430
ChEBI 35697
eMolecules 480106
EPA CompTox Dashboard DTXSID5022489
FDA SRS U14A832J8D
Guide to Pharmacology 3203
Human Metabolome Database HMDB00930
IBM Patent System 857E3969A4B776C14EC825F3AE713B07
KEGG Ligand C10438 C00423
Mcule MCULE-1077406303
MolPort MolPort-000-881-745
Nikkaji J2.024I J2.087G
NMRShiftDB 10113810
PDBe TCA
PubChem 444539
PubChem: Thomson Pharma 15219201
SureChEMBL SCHEMBL1332

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