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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293864
CHEMBL293864
Compound Name FRAXINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H18O10

Additional synonyms for CHEMBL293864 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2C=CC(=O)Oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H] ...
Download SMILES
Standard InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)2 ...
Download InChI
Standard InChI Key CRSFLLTWRCYNNX-QBNNUVSCSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293864

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
370.3 370.09 -1.31 4 159.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.99 - -1.82 -2.37 2 26 0.41

Structural Alerts

There are 8 structural alerts for CHEMBL293864. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CRSFLLTWRCYNNX-QBNNUVSCSA-N
PubChem SID: 85148698

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293864



ACToR 524-30-1
BindingDB 50428429
eMolecules 4789008
EPA CompTox Dashboard DTXSID30200410
FDA SRS V7M270Y072
Mcule MCULE-4021467385 MCULE-3801558632
MolPort MolPort-001-683-946
Nikkaji J22.598C
NMRShiftDB 75777
PubChem 5273568
SureChEMBL SCHEMBL1227439
ZINC ZINC000004027246

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