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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

Structural Alerts

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

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

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

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