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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 | Delphinidin Chloride
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

Sources

  • Scientific Literature

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 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 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
Brenda 1824
ChEBI 28436
eMolecules 31492408
FDA SRS 031A4BN94T
Human Metabolome Database HMDB0130399
IBM Patent System 5790A68E4A42C16E6C7869A6B3E5B49B
KEGG Ligand C05908
LipidMaps LMPK12010001
Metabolights MTBLC28436
Nikkaji J69.704D
PDBe DLM
PubChem 128853
PubChem: Thomson Pharma 15023517
SureChEMBL SCHEMBL22370
ZINC ZINC000003777403

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