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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL590878
CHEMBL590878
Compound Name DELPHINIDIN CHLORIDE
ChEMBL Synonyms Delphinidin Chloride
Max Phase 0
Trade Names
Molecular Formula C15H11ClO7

Additional synonyms for CHEMBL590878 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
Standard InChI InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7) ...
Download InChI
Standard InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL590878

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
303.2 303.0505 2.8 1 132.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 7 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - 3 22 0.3

Structural Alerts

There are 10 structural alerts for CHEMBL590878. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFNDMZIBVDSQFI-UHFFFAOYSA-N
Wikipedia Delphinidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL590878



ACToR 528-53-0
ChEBI 38701
eMolecules 507940
FDA SRS EM6MD4AEHE
Human Metabolome Database HMDB0003074
MolPort MolPort-003-932-836
PubChem 68245
PubChem: Drugs of the Future 56310576
PubChem: Thomson Pharma 14875608
Selleck delphinidin-chloride
SureChEMBL SCHEMBL22369

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