Basic information
- CAS
528-53-0- Standard SMILES
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-]- InChIKey
FFNDMZIBVDSQFI-UHFFFAOYSA-N- Molecular formula
- C15H11ClO7
- Average molar mass
- 338.69 g/mol
- Monoisotopic mass
- 338.0193304
Overview
Delphinidin chloride is an anthocyanidin chloride that has delphinidin as the cationic counterpart. It contains a delphinidin.
Names & identifiers
- Preferred name
- Delphinidin Chloride
- IUPAC
- 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol chloride
- English name
- Delphinidin chloride
- Molecular formula
- C15H11ClO7
- Molecular weight
- 338.7
Names & synonyms
Delphinidin chloride528-53-03,3',4',5,5',7-Hexahydroxyflavylium chloride2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chlorideDTXSID701019982RefChem:131633DTXCID901477839Delphinidin (chloride)liquid paraffin (drug)1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride
Show more names
delphinidinephdineCcris 2518DelfinidolANTHOCYANINdelphinidoldelphinidinedelfinidolchlorideelphinidinchloride
Delphinidin Chloride (~80% purity)3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triolDelphinidine; Delphinidol; Ephdine; IdB 1056;Delfinidol chloride; DelphinidinEphdine; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chlorideCHEMBL590878IdB-1056Delphinidin chloride, analytical standard
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Collision Cross Section171.35 Ų [M]+ [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 349.85 °C · >349.85°C
- Boiling point
- 454.94 °C · 454.94°C (rough estimate)
- Density
- 1.3946 · 1.3946 (rough estimate)
- refractive index
- 1.4429 · 1.4429 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly)
- form
- Solid
- color
- Blue-Red to Black
- Major Application
- food and beverages
- InChI
- InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H
- InChIKey
- FFNDMZIBVDSQFI-UHFFFAOYSA-N
- SMILES
- C1(=C(O)C=C2C(O)=CC(O)=CC2=[O+]1)C1=CC(=C(O)C(O)=C1)O.[Cl-]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- DK1310000
- hs_code
- 29072990
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionDelphinidin (chloride) is an anthocyanidin, a natural plant pigment which serves as the precursor of certain anthocyanins that provide the blue-red colors of flowers, fruits, and red wine. Delphinidin induces the release of nitric oxide by vascular endothelium, causing vasorelaxation. It also inhibits signaling through epithelial growth factor receptors, suppressing the expression of estrogen receptor α and inducing both apoptosis and autophagy at a dose of 1-40 μM. Delphinidin also inhibits the histone acetyltransferase activities of p300/CBP (IC50 = ~ 30 μM).
UsesDelphinidin Chloride is an anthocyanidin; antioxidant. Delphinidin Chloride is a pigment found in grapes, cranberries, and pomegranates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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