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1429-30-7

1429-30-7 Structure

1429-30-7 Structure
IdentificationBack Directory
[Name]

PETUNIDIN CHLORIDE
[CAS]

1429-30-7
[Synonyms]

PETUNIDOL
Petunidol chloride
PETUNIDIN CHLORIDE
Petunidin solution
MYRTILLIDIN CHLORIDE
Petunidin Chloride (P)
3,3’,4’,5,7-pentahydroxy-5’-methoxy-flavyliuchloride
3,3’,4’,5,7-pentahydroxy-5’-methoxyflavyliumchloride
3,5,73',3'-PENTAHYDROXY-5'-METHOXYFLAVYLIUM CHLORIDE
2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol
2-(3,4-dihydroxy-5-methoxy-phenyl)chromene-3,5,7-triol chloride
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyryliuchloride
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyryliumchloride
1-Benzopyrylium,2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride (1:1)
[EINECS(EC#)]

215-849-4
[Molecular Formula]

C16H13ClO7
[MDL Number]

MFCD00017580
[MOL File]

1429-30-7.mol
[Molecular Weight]

352.72
Chemical PropertiesBack Directory
[Boiling point ]

376.58°C (rough estimate)
[density ]

1.3212 (rough estimate)
[refractive index ]

1.4790 (estimate)
[storage temp. ]

?20°C
[solubility ]

Soluble in methan
[form ]

powder
[color ]

Gray-brown leaflets or prisms from HCl (aq)
[InChI]

1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H
[InChIKey]

QULMBDNPZCFSPR-UHFFFAOYSA-N
[SMILES]

Cl.[o+]1c2c(c(cc(c2)O)O)cc(c1c3cc(c(c(c3)O)[O-])OC)O
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

16-36/37-45
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 ipr-rat: 2350 mg/kg CHTPBA 2,33,67
Hazard InformationBack Directory
[Description]

Petunidin is an O-methylated anthocyanidin derived from delphinidin that imparts blue-red pigments to flowers, fruits, and red wine. It has been shown to bind with and suppress the activity of focal adhesion kinase and to inhibit platelet-derived growth factor-induced aortic smooth muscle cell migration, which may confer a protective effect against atherosclerosis. Extracts from E. jambolana fruit, which is rich in anthocyanins including petunidin, have been used to suppress the proliferation of an HCT116 colon cancer cell line, as well as colon cancer stem cells.
[Uses]

Petunidin chloride is the chloride salt of Petunidin, an anthocyanin pigment that contributes to the bluish colour in flowers such as the Petunia hybrida and in fruits such as blueberries.
[Definition]

ChEBI: Petunidin chloride is an anthocyanidin chloride that has petunidin as the cationic component. It has a role as a metabolite.
[Safety Profile]

Poison by intravenous route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.
[References]

[1] JOE EUN SON. Anthocyanidins, novel FAK inhibitors, attenuate PDGF-BB-induced aortic smooth muscle cell migration and neointima formation.[J]. Cardiovascular Research, 2014, 101 3: 503-512. DOI: 10.1093/cvr/cvt337
[2] VENKATA CHAREPALLI. Eugenia jambolana (Java Plum) Fruit Extract Exhibits Anti-Cancer Activity against Early Stage Human HCT-116 Colon Cancer Cells and Colon Cancer Stem Cells[J]. Cancers, 2016, 8 1. DOI: 10.3390/cancers8030029
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