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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL452666
CHEMBL452666
Compound Name SPINOCHROME D
ChEMBL Synonyms spinochrome D
Max Phase 0
Trade Names
Molecular Formula C10H6O7

Additional synonyms for CHEMBL452666 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O
Standard InChI InChI=1S/C10H6O7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5 ...
Download InChI
Standard InChI Key HYVDWYISUNRFCU-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL452666

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
238.2 238.0114 -0.04 0 0 No Yes ACID


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
6.09 - 2.07 -.69 1 17 2 0.32

Compound Cross References

ChemSpider ChemSpider:HYVDWYISUNRFCU-UHFFFAOYSA-N
Wikipedia 2,3,5,6,8-Pentahydroxy-1,4-naphthalenedione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL452666



PubChem: Thomson Pharma 15464829

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