18719-76-1

• 常用中文名：氯化失车菊素-3-O-芸香糖苷
• 常用英文名：Cyanidin-3-O-rutinoside chloride
• CAS号：18719-76-1
• 分子式：C₂₇H₃₁ClO₁₅
• 分子量：630.979
• 相关类别： 生物化工 植物提取物
• 发布时间：2018-05-30 08:00:00
• 更新时间：2024-01-03 14:03:50
• Keracyanin chloride (Cyanidin 3-rutinoside chloride),一种花青素,具有抗氧化活性。Keracyanin chloride 抑制氧化的小牛胸腺 DNA 中丙二醛的形成。

名称

• 中文名: 花青素鼠李葡糖苷
• 英文名: cyanidin 3-O-rutinoside chloride
• 中文别名: 凯拉花青
• 英文别名: Cyanidin 3-rutinoside; Keracyanine; Antirrhinin; cyanidin-3-O-rhamnoglucoside; Cyaninoside; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside chloride; cyanidin 3-O-rutinoside chloride; Sambucin; Cyanidin Chloride 3-Rhamnoglucoside; β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-, chloride (1:1); 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}chromenium chloride; Chlorure de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}chroménium; KERACYANIN; Cyanidin-3-rhamnoglucoside chloride; (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol,chloride; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosidechlorid; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}chromeniumchlorid; cyanidin 3-rhamnoglucoside; Keracyaninum; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside chloride; Prunicyanin; Keraciannai

物化性质

• 分子式: C₂₇H₃₁ClO₁₅
• 分子量: 630.979
• 精确质量: 630.135132
• PSA: 252.36000
• 储存条件: −20°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:10

  3.氢键受体数量:15

  4.可旋转化学键数量:6

  5.互变异构体数量:171

  6.拓扑分子极性表面积:240

  7.重原子数量:43

  8.表面电荷:0

  9.复杂度:883

  10.同位素原子数量:0

  11.确定原子立构中心数量:10

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

生物活性

• 描述: Keracyanin chloride (Cyanidin 3-rutinoside chloride),一种花青素,具有抗氧化活性。Keracyanin chloride 抑制氧化的小牛胸腺 DNA 中丙二醛的形成。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Mazzaracchio P, et al. Interaction between gliadins and anthocyan derivatives. Food Chem. 2011 Dec 1;129(3):1100-7.

  [2]. Matsufuji H, et al. Inhibition of malonaldehyde formation in oxidized calf thymus DNA with synthetic and natural antioxidants. J Agric Food Chem. 2004 Sep 8;52(18):5759-63.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : OA5007000 CHEMICAL NAME : Keracyanin CAS REGISTRY NUMBER : 18719-76-1 LAST UPDATED : 199512 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C27-H31-O15.Cl MOLECULAR WEIGHT : 631.03 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1900 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 364 gm/kg SEX/DURATION : male 26 week(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 2 gm/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 147,262,1985

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: OA5007000

合成路线

153-18-4 ~61% 18719-76-1

文献：Elhabiri, Mourad; Figueiredo, Paulo; Fougerousse, Andre; Brouillard, Raymond Tetrahedron Letters, 1995 , vol. 36, # 26 p. 4611 - 4614