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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324794
CHEMBL324794
Compound Name CINNAMIC ALCOHOL
ChEMBL Synonyms (E)-Cinnam Alcohol | Cinnamyl Alcohol | Cinnamic Alcohol
Max Phase 0
Trade Names
Molecular Formula C9H10O

Additional synonyms for CHEMBL324794 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC\C=C\c1ccccc1
Standard InChI InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
Standard InChI Key OOCCDEMITAIZTP-QPJJXVBHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324794

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
134.2 134.0732 1.69 2 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.58 1.58 1 10 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL324794. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OOCCDEMITAIZTP-QPJJXVBHSA-N
Wikipedia Cinnamyl_alcohol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324794



ACToR 104-54-1 4407-36-7
BindingDB 50310446
Brenda 104881 936 63197 48352 29858
ChEBI 33227
eMolecules 478238
FDA SRS SS8YOP444F
Human Metabolome Database HMDB29698
KEGG Ligand C02394
Metabolights MTBLC33227
MolPort MolPort-001-783-093
Nikkaji J9.304A J106.769I
NMRShiftDB 20096428
PubChem 5315892
PubChem: Thomson Pharma 15363573
SureChEMBL SCHEMBL39219
ZINC ZINC000001529427

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