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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1315175
CHEMBL1315175
Compound Name (Z)-AURONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10O2

Additional synonyms for CHEMBL1315175 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1\C(=C\c2ccccc2)\Oc3ccccc13
Standard InChI InChI=1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2 ...
Download InChI
Standard InChI Key OMUOMODZGKSORV-UVTDQMKNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1315175

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
222.2 222.0681 3.3 1 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.91 2.91 2 17 0.69

Structural Alerts

There are 4 structural alerts for CHEMBL1315175. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OMUOMODZGKSORV-UVTDQMKNSA-N
PubChem SID: 26752575

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1315175



ChEBI 47964
eMolecules 27336888
EPA CompTox Dashboard DTXSID70424870
MolPort MolPort-001-648-700
Nikkaji J38.230B J1.175.664F
PubChem 6537099
PubChem: Thomson Pharma 16570447
SureChEMBL SCHEMBL305100
ZINC ZINC000002786059

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