ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173620
CHEMBL1173620
Compound Name LIGNOCERIC ACID
ChEMBL Synonyms Lignoceric Acid
Max Phase 0
Trade Names
Molecular Formula C24H48O2

Additional synonyms for CHEMBL1173620 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key QZZGJDVWLFXDLK-UHFFFAOYSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL1173620. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1173620

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
368.6 368.3654 10.04 22 37.29 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 10.89 8.3 0 26 0.19

Compound Cross References

ChemSpider ChemSpider:QZZGJDVWLFXDLK-UHFFFAOYSA-N
Wikipedia Lignoceric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173620



ACToR 557-59-5
ChEBI 28866
eMolecules 514736
EPA CompTox Dashboard DTXSID6021664
FDA SRS RK3VCW5Y1L
Human Metabolome Database HMDB02003
IBM Patent System 2D210102DE509A7CD6BDE93D0B6C2D3D
KEGG Ligand C08320
Mcule MCULE-9710516271
MolPort MolPort-003-939-501
Nikkaji J11.350F
PubChem 11197
PubChem: Thomson Pharma 15251617
SureChEMBL SCHEMBL132795

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