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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL598951
CHEMBL598951
Compound Name BRAZILIN
ChEMBL Synonyms Brazilin
Max Phase 0
Trade Names
Molecular Formula C16H14O5

Additional synonyms for CHEMBL598951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1
Standard InChI InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18 ...
Download InChI
Standard InChI Key UWHUTZOCTZJUKC-JKSUJKDBSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL598951

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
286.3 286.0841 1.93 0 0 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
9.87 - 1.08 1.07 2 21 1 0.56

Compound Cross References

ChemSpider ChemSpider:UWHUTZOCTZJUKC-JKSUJKDBSA-N
Wikipedia Brazilin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL598951



PubChem: Drugs of the Future 12013640
KEGG Ligand C09920
ChEBI 3170
ZINC ZINC00899553
eMolecules 29479158
FDA SRS FZ39SW1K10
SureChem SureCN157997
PubChem: Thomson Pharma 14897822
PubChem 73384

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