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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL512578
CHEMBL512578
Compound Name MORACIN M
ChEMBL Synonyms Moracin M
Max Phase 0
Trade Names
Molecular Formula C14H10O4

Additional synonyms for CHEMBL512578 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2cc(oc2c1)c3cc(O)cc(O)c3
Standard InChI InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6 ...
Download InChI
Standard InChI Key LHPRYOJTASOZGJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL512578

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
242.2 242.0579 3.22 1 73.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.05 - 2.47 2.45 3 18 0.61

Structural Alerts

There are no structural alerts for CHEMBL512578

Compound Cross References

ChemSpider ChemSpider:LHPRYOJTASOZGJ-UHFFFAOYSA-N
PubChem SID: 46501247

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL512578



ACToR 56317-21-6
BindingDB 50250915
Brenda 38852
EPA CompTox Dashboard DTXSID20204861
FDA SRS L9FI83128D
Human Metabolome Database HMDB0033307
Mcule MCULE-9347056916
MolPort MolPort-022-396-299
Nikkaji J380.396A
NMRShiftDB 10025018
PubChem 185848
PubChem: Drugs of the Future 85197678
PubChem: Thomson Pharma 14798408
SureChEMBL SCHEMBL1740981
ZINC ZINC000006092566

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