ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486760
CHEMBL486760
Compound Name XANTHENE
ChEMBL Synonyms Xanthene
Max Phase 0
Trade Names
Molecular Formula C13H10O

Additional synonyms for CHEMBL486760 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1c2ccccc2Oc3ccccc13
Standard InChI InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h ...
Download InChI
Standard InChI Key GJCOSYZMQJWQCA-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486760

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
182.2 182.0732 3.53 0 9.23 -


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
- - 3.46 3.46 2 14 0.61

Structural Alerts

There are no structural alerts for CHEMBL486760

Compound Cross References

ChemSpider ChemSpider:GJCOSYZMQJWQCA-UHFFFAOYSA-N
PubChem SID: 57260088
Wikipedia Xanthene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486760



ACToR 92-83-1 84932-15-0 11138-66-2
Brenda 162088
ChEBI 10057
eMolecules 533312
EPA CompTox Dashboard DTXSID1059070
FDA SRS A762Z8101Y
IBM Patent System 91B65D5A90A3DB8DCE6B46993E7CBF99
KEGG Ligand C01464
Mcule MCULE-9252893365
MolPort MolPort-002-070-463
Nikkaji J24.853C
NMRShiftDB 10254
PubChem 7107
PubChem: Thomson Pharma 14818541
SureChEMBL SCHEMBL4267
ZINC ZINC000000967535

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