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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55060
CHEMBL55060
Compound Name E-METHYL CINNAMATE
ChEMBL Synonyms Methyl Cinnamate | (E)-Methyl Cinnamate
Max Phase 0
Trade Names
Molecular Formula C10H10O2

Additional synonyms for CHEMBL55060 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)\C=C\c1ccccc1
Standard InChI InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8 ...
Download InChI
Standard InChI Key CCRCUPLGCSFEDV-BQYQJAHWSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL55060

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
162.2 162.0681 2.15 3 26.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.46 2.46 1 12 0.5

Structural Alerts

There are 6 structural alerts for CHEMBL55060. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CCRCUPLGCSFEDV-BQYQJAHWSA-N
PubChem SID: 144211701
Wikipedia Methyl_cinnamate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55060



ACToR 103677-76-5 103-26-4 1754-62-7
ChEBI 6857
eMolecules 485289
EPA CompTox Dashboard DTXSID5044314
FDA SRS 533CV2ZCQL
IBM Patent System 8BB9C8802553E51E18F9EEE0F97CD457
KEGG Ligand C06358
MolPort MolPort-001-783-139 MolPort-019-640-936
Nikkaji J2.848G J43.384E
NMRShiftDB 20073811
PubChem 637520
PubChem: Thomson Pharma 15120321
SureChEMBL SCHEMBL101530
ZINC ZINC00896129

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