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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL71260
CHEMBL71260
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H24O

Additional synonyms for CHEMBL71260 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC\C=C/CC#CC#C[C@H](O)C=C
Standard InChI InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4 ...
Download InChI
Standard InChI Key UGJAEDFOKNAMQD-QXPKXGMISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL71260

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
244.4 244.1827 3.85 8 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
11.66 - 6.26 6.26 0 18 0.39

Structural Alerts

There are 12 structural alerts for CHEMBL71260. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGJAEDFOKNAMQD-QXPKXGMISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL71260



ACToR 21852-80-2
Brenda 124936
ChEBI 66722
FDA SRS 8P1DJD416I
KEGG Ligand C08450
LipidMaps LMFA05000689
Metabolights MTBLC66722
MolPort MolPort-039-141-988
Nikkaji J15.332J
PubChem 5281149
PubChem: Thomson Pharma 123104045
SureChEMBL SCHEMBL40767
ZINC ZINC000008221109

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