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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124440
CHEMBL124440
Compound Name ANTHRONE
ChEMBL Synonyms Anthrone
Max Phase 0
Trade Names
Molecular Formula C14H10O

Additional synonyms for CHEMBL124440 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1c2ccccc2Cc3ccccc13
Standard InChI InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11) ...
Download InChI
Standard InChI Key RJGDLRCDCYRQOQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL124440

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
194.2 194.0732 3.38 0 17.07 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.66 3.66 2 15 0.63

Structural Alerts

There are 1 structural alerts for CHEMBL124440. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJGDLRCDCYRQOQ-UHFFFAOYSA-N
PubChem SID: 144210147
Wikipedia Anthrone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124440



ACToR 90-44-8
BindingDB 50060860
Brenda 28094
ChEBI 33835
eMolecules 478136
EPA CompTox Dashboard DTXSID1049431
FDA SRS FP0FJ7K744
IBM Patent System 81F567AEE75B2D03FD92C796ADD007D6
Mcule MCULE-4738697706
MolPort MolPort-001-779-692
Nikkaji J3.916K
NMRShiftDB 20041112
PubChem 7018
PubChem: Thomson Pharma 14748588
SureChEMBL SCHEMBL18143
ZINC ZINC000001017610

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