Introduction：Basic information about CAS 6906-38-3|Delphinidin-3-O-glucoside chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Delphinidin-3-O-glucoside chloride |
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| CAS Number | 6906-38-3 | Molecular Weight | 500.837 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C21H21ClO12 | Melting Point | / |
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| MSDS | USA | Flash Point | / |
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Names
| Name | Delphinidin 3-β-D-Glucoside |
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| Synonym | More Synonyms |
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Delphinidin-3-O-glucoside chloride BiologicalActivity
| Description | Delphinidin 3-glucoside chloride (Delphinidin 3-O-glucoside chloride) is an active anthocyanin found in bilberry extract. Delphinidin 3-glucoside chloride induces a pro-apoptotic effect in B cell chronic lymphocytic leukaemia (B CLL)[1]. Delphinidin 3-glucoside chloride exerts phytoestrogen activity by binding to ERβ, with an IC50 of 9.7 μM[2]. Delphinidin-3-O-glucoside chloride inhibits EGFR with an IC50 of 2.37 µM[3]. |
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| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerSignaling Pathways >>JAK/STAT Signaling >>EGFRSignaling Pathways >>Protein Tyrosine Kinase/RTK >>EGFR |
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| Target | IC50: 2.37 µM (EGFR)[3] |
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| References | [1]. Mahmoud Alhosin, et al. Bilberry extract (Antho 50) selectively induces redox-sensitive caspase 3-related apoptosis in chronic lymphocytic leukemia cells by targeting the Bcl-2/Bad pathway. Sci Rep. 2015 Mar 11;5:8996. [2]. Naoki Nanashima, et al. Phytoestrogenic Activity of Blackcurrant Anthocyanins Is Partially Mediated through Estrogen Receptor Beta. Molecules. 2017 Dec 29;23(1):74. [3]. Candice Mazewski, et al. Comparison of the effect of chemical composition of anthocyanin-rich plant extracts on colon cancer cell proliferation and their potential mechanism of action using in vitro, in silico, and biochemical assays. Food Chem. 2018 Mar 1;242:378-388. |
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Chemical & Physical Properties
| Molecular Formula | C21H21ClO12 |
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| Molecular Weight | 500.837 |
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| Exact Mass | 500.072144 |
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| PSA | 213.67000 |
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| InChIKey | ZJWIIMLSNZOCBP-BTTVDUMLSA-N |
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| SMILES | OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O.[Cl-] |
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| Storage condition | ?20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DK1275000
- CHEMICAL NAME :
- 1-Benzopyrylium, 5,7-dihydroxy-3-(beta-D-glucopyranosyloxy)-2-(3,4,5-t rihydroxyphenyl)-, chloride
- CAS REGISTRY NUMBER :
- 6906-38-3
- LAST UPDATED :
- 199603
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H21-O12.Cl
- MOLECULAR WEIGHT :
- 500.87
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1850 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4229439
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Safety Information
| RIDADR | NONH for all modes of transport |
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Synonyms
| myrtillin-a |
| delphinidin-3-glucoside |
| 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl β-D-glucopyranoside chloride |
| Chlorure de 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2-(3,4,5-trihydroxyphényl)chroménium |
| Chlorure de β-D-glucopyranoside de 5,7-dihydroxy-2-(3,4,5-trihydroxyphényl)-3-chroméniumyle |
| 5,7-Dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromenium chloride |
| β-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl, chloride (1:1) |
| 5,7-Dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromeniumchlorid |
| 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl-β-D-glucopyranosidechlorid |
| 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl β-D-glucopyranoside chloride |
