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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL259093
CHEMBL259093
Compound Name CHAVIBETOL
ChEMBL Synonyms chavibetol
Max Phase 0
Trade Names
Molecular Formula C10H12O2

Additional synonyms for CHEMBL259093 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC=C)cc1O
Standard InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7,11H,1 ...
Download InChI
Standard InChI Key NPBVQXIMTZKSBA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL259093

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
164.2 164.0837 2.13 3 29.46 NEUTRAL


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
10 - 2.22 2.22 1 12 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL259093. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NPBVQXIMTZKSBA-UHFFFAOYSA-N
Wikipedia Chavibetol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL259093



ACToR 501-19-9
eMolecules 4775193
EPA CompTox Dashboard DTXSID70198206
FDA SRS OE7NQ16G4D
IBM Patent System 39A8A277E5A817D5204C284B583C0E44
Mcule MCULE-2188746063
MolPort MolPort-002-507-060
Nikkaji J6.118B
PubChem 596375
PubChem: Thomson Pharma 14772488
SureChEMBL SCHEMBL901503
ZINC ZINC000000517281

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