Peonidin
Basic information
- CAS
134-01-0- Standard SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O.[Cl-]- InChIKey
OGBSHLKSHNAPEW-UHFFFAOYSA-N- Molecular formula
- C16H13ClO6
- Average molar mass
- 336.72 g/mol
- Monoisotopic mass
- 336.0400658
Overview
Peonidin chloride is an anthocyanidin chloride that has peonidin as the cationic component. It has a role as an antioxidant, a metabolite, an antineoplastic agent and an apoptosis inducer. It contains a peonidin.
Names & identifiers
- Preferred name
- Peonidin
- IUPAC
- 2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol chloride
- English name
- PEONIDIN CHLORIDE
- Molecular formula
- C16H13ClO6
- Molecular weight
- 336.72
Names & synonyms
Peonidin chloride134-01-0Peonidin3,4',5,7-Tetrahydroxy-3'-methoxyflavylium chloride3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chlorideD0O766G47B2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol;chlorideCHEBI:75033DTXSID80861792CHEBI:753143,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromeniumRefChem:171532
Show more names
YGM 6PaeonidinPSOROMIC ACID(RG)Peonidol chloridePEONIDIN CHLORIDE(P)PEONIDIN CHLORIDE(RG)PEONIDIN CHLORIDE hplcPeonidin chloride sna
2-(4-hydroxy-3-methoxy-phenyl)chromene-3,5,7-triolDTXCID50810671205-125-62-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triolPeonidin (chloride)YGM-6 (chloride)3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium chlorideUNII-D0O766G47B
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in methan
- form
- Beige to reddish-brown solid.
- color
- Red-black
- Major Application
- food and beverages
- Cosmetics Ingredients Functions
- SKIN PROTECTINGHAIR CONDITIONINGSKIN CONDITIONING - MISCELLANEOUS
- InChI
- 1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
- InChIKey
- OGBSHLKSHNAPEW-UHFFFAOYSA-N
- SMILES
- [Cl-].COc1cc(ccc1O)-c2[o+]c3cc(O)cc(O)c3cc2O
- FDA UNII
- 0 O766G47B · D0O766G47B
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10-21
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPeonidin Chloride is a chemical dye for hair.
Additional notes
DefinitionChEBI: Peonidin chloride is an anthocyanidin chloride that has peonidin as the cationic component. It has a role as a metabolite, an antineoplastic agent, an apoptosis inducer and an antioxidant. It contains a peonidin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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