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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

Sources

  • Scientific Literature

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 #Rotatable Bonds Polar Surface Area Molecular Species
238.2 238.0114 -0.04 0 135.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 5 0


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

Structural Alerts

There are 13 structural alerts for CHEMBL452666. To view alerts please click here.

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



Nikkaji J12.307B
PubChem: Thomson Pharma 15464829
SureChEMBL SCHEMBL17603111
ZINC ZINC000014647671

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