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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL301141
CHEMBL301141
Compound Name 4-HYDROXYCOUMARINS
ChEMBL Synonyms 4-Hydroxycoumarin
Max Phase 0
Trade Names
Molecular Formula C9H6O3

Additional synonyms for CHEMBL301141 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=CC(=O)Oc2ccccc12
Standard InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
Standard InChI Key VXIXUWQIVKSKSA-UHFFFAOYSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL301141. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL301141

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
162.1 162.0317 1.36 0 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 1.96 -.84 1 12 0.46

Compound Cross References

ChemSpider ChemSpider:VXIXUWQIVKSKSA-UHFFFAOYSA-N
PubChem SID: 76718
Wikipedia 4-Hydroxycoumarins

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL301141



ACToR 1076-38-6
BindingDB 50055710
ChEBI 40070
eMolecules 520284
FDA SRS X954ZLL2RD
IBM Patent System 6EBAF426007188283918877F040D3495
Mcule MCULE-5951606896
MolPort MolPort-000-294-754
Nikkaji J12.175D
NMRShiftDB 20146986
PDBe 4HC
PubChem 54682930
PubChem: Drugs of the Future 12015466
PubChem: Thomson Pharma 15437558
SureChEMBL SCHEMBL131312
ZINC ZINC18154848

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