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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276780
CHEMBL276780
Compound Name DELPHINIDIN
ChEMBL Synonyms Delphinidin Chloride | Delphinidin
Max Phase 0
Trade Names
Molecular Formula C15H11O7

Additional synonyms for CHEMBL276780 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
Standard InChI InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1- ...
Download InChI
Standard InChI Key JKHRCGUTYDNCLE-UHFFFAOYSA-O

Alternate Forms of Compound in ChEMBL


CHEMBL276780

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 BASE


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
- 8.52 2.57 1.42 3 22 0.3

Structural Alerts

There are 10 structural alerts for CHEMBL276780. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JKHRCGUTYDNCLE-UHFFFAOYSA-O
Wikipedia Delphinidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276780



ACToR 13270-61-6
ChEBI 28436
eMolecules 31492408
FDA SRS 031A4BN94T
IBM Patent System 5790A68E4A42C16E6C7869A6B3E5B49B
KEGG Ligand C05908
MolPort MolPort-019-846-889
Nikkaji J69.704D
PDBe DLM
PubChem 128853
PubChem: Thomson Pharma 15023517
SureChEMBL SCHEMBL22370
ZINC ZINC03777403

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