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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL250212
CHEMBL250212
Compound Name SORBIC ACID
ChEMBL Synonyms E200 | POTASSIUM SORBATE | SORBIC ACID
Max Phase 0
Trade Names
Molecular Formula C6H8O2

Additional synonyms for CHEMBL250212 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\C=C\C(=O)O
Standard InChI InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4 ...
Download InChI
Standard InChI Key WSWCOQWTEOXDQX-MQQKCMAXSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL250212

Molecule Features

CHEMBL250212 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SORBIC ACID
The Cochrane Collaboration SORBIC ACID

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
112.1 112.0524 1.36 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
4.6 - 1.27 -1.49 0 8 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL250212. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSWCOQWTEOXDQX-MQQKCMAXSA-N
PubChem SID: 144204715 SID: 144208917 SID: 144210502 SID: 17389732 SID: 56462787
Wikipedia Sorbic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL250212



ACToR 22500-92-1 110-44-1
Brenda 28087 65921 109028 163867 32413 107760
ChEBI 38358
eMolecules 490862
EPA CompTox Dashboard DTXSID3021277
FDA SRS X045WJ989B
Human Metabolome Database HMDB0029581
IBM Patent System 2154FD6149F2D42369F573415E20F31D
LipidMaps LMFA01030100
MolPort MolPort-001-780-268
Nikkaji J2.449J J628.002A J394.115I
NMRShiftDB 20036579
PubChem 643460
PubChem: Thomson Pharma 15297063
SureChEMBL SCHEMBL1647
ZINC ZINC000001558385

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