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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL251251
CHEMBL251251
Compound Name Rubiadin
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10O4

Additional synonyms for CHEMBL251251 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O
Standard InChI InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4 ...
Download InChI
Standard InChI Key IRZTUXPRIUZXMP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL251251

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
254.2 254.0579 2.18 0 74.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.22 - 2.97 2.44 2 19 0.64

Structural Alerts

There are 6 structural alerts for CHEMBL251251. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IRZTUXPRIUZXMP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL251251



ACToR 117-02-2
Brenda 213033
ChEBI 69533
ChemicalBook CB1731011
eMolecules 5757168
EPA CompTox Dashboard DTXSID90151651
FDA SRS CY0UH3X06R
IBM Patent System 8F4D05298955B5CAA153C362CA4E0EC4
KEGG Ligand C10402
Mcule MCULE-1867080462
Metabolights MTBLC69533
MolPort MolPort-003-824-764
Nikkaji J10.078A
PubChem 124062
PubChem: Thomson Pharma 15392099
SureChEMBL SCHEMBL1426928
ZINC ZINC000004098705

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