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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235634
CHEMBL1235634
Compound Name RICINOLEIC ACID
ChEMBL Synonyms Ricinoleic acid
Max Phase 0
Trade Names
Molecular Formula C18H34O3

Additional synonyms for CHEMBL1235634 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)O
Standard InChI InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13 ...
Download InChI
Standard InChI Key WBHHMMIMDMUBKC-XLNAKTSKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1235634

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
298.5 298.2508 5.08 15 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 5.61 3.01 0 21 0.33

Structural Alerts

There are 7 structural alerts for CHEMBL1235634. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WBHHMMIMDMUBKC-XLNAKTSKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235634



ChEBI 45478
FDA SRS 9O64E391KI
LipidMaps LMFA02000212
MolPort MolPort-044-727-745
Nikkaji J712.022B J6.386J
PDBe RCL
PubChem 445641
PubChem: Thomson Pharma 14751658
SureChEMBL SCHEMBL522696
ZINC ZINC000003875925

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