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异绿原酸 A | 2450-53-5

异绿原酸 A
Isochlorogenic acid A
2450-53-5
C25H24O12
516.4509
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异绿原酸 A结构式
329824809
异绿原酸 A价格
简介
Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) 是一种具有抗氧化和抗炎活性的天然酚酸。
名称和标识符
MDL MFCD00951290
InChIKey KRZBCHWVBQOTNZ-RDJMKVHDSA-N
Inchi 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
SMILES O(C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)[C@@]1([H])C([H])([C@@]([H])(C([H])([H])C(C(=O)O[H])(C1([H])[H])O[H])OC(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)O[H]
别名信息
- 中文别名 -
  • 异绿原酸 A
  • 3,5-二咖啡酰奎宁酸
  • (1S–4R)-4-(2-氨基-6-氯-9H-嘌呤-9-基)-2-环戊烯-1-甲醇盐酸盐
  • 3,5-O-二咖啡酰基奎宁酸
  • 3,5-O-二咖啡酰基奎宁酸对照品
  • 3,5-二咖啡酰奎尼酸
  • Isochlorogenic acid A 异绿原酸A 标准品
  • 异绿原酸 A Isochlorogenic acid A
  • 异绿原酸 A(SH)
  • 异绿原酸A(3,5-二咖啡酰奎宁酸),Isochlorogenic acid A(3',5'),植物提取物,标准品,对照品
  • 异绿原酸A(标准品)
  • 3,5-二咖啡酰基奎宁酸
  • 异绿原酸A
  • 异绿原酸A(对照品)
- 英文别名 -
  • Isochlorogenic acid A
  • 3,5-Dicaffeoylquinic acid
  • 3,5-CQA
  • 3,5-Di-caffeoylquinic acid
  • 3,5-Dicaffeylquinic acid
  • 3,5-di-O-caffeoylquinic acid
  • 3,5-di-O-trans-caffeoyl-D-quinic acid
  • CJ 4-16-4
  • Quinic acid 3,5-di-O-caffeate
  • 3,5-DCQA
  • Isochlorogenic-acid-A
  • 3,5-Dicaffeoyl-epi-quinic acid
  • 3,5-di-O-caffeoyl quinic acid
  • (-)-3,5-Dicaffeoyl quinic acid
  • (1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
  • 3,5-Di-o-caffeoylquinic acid/Isochlorogenic acid A
  • (1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-
  • (1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylicacid
  • Methylhydrogenphthalate
  • PD197614
  • (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
  • 3,5-DI-O-(E)-CAFFEOYLQUINIC ACID
  • 3,5-dicaffeoylquinate
  • 3,5-di-O-Aaffeoylquinic acid
  • 3,5-O-dicaffeoylquinic acid
  • CS-3768
  • BDBM50466107
  • CYCLOHEXANECARBOXYLIC ACID, 1,4-DIHYDROXY-3,5-BIS(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-
  • CHEMBL249447
  • (3R,5R)-3,5-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexanecarboxylic acid
  • AKOS032948323
  • CCG-269821
  • DTXSID00424282
  • CHEMBL4466054
  • CHEMBL4289566
  • (1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid
  • s9282
  • 2450-53-5
  • 3,5-Di-O-caffeoylquinic acid
  • A,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
  • CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
  • Q27134233
  • HY-N9895
  • NCGC00169984-01
  • BS-42212
  • (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid
  • 89919-62-0
  • (1R,3R,4S,5R)-3,5-Bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
  • HY-N0056
  • (1.ALPHA.,3R,4.ALPHA.,5R)-3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID
  • (1
  • (1S,3R,4S,5R)-3,5-BIS(((E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL)OXY)-1,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
  • (E,E)-3,5-O-dicaffeoylquinic acid
  • ACon1_002290
  • 879305-14-3
  • CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4-DIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(E),4.ALPHA.,5.BETA.(E)))-
  • Dicaffeoylquinic acid
  • 3,5-H56:H75dicaffeoyl-epi-quinic acid
  • NCGC00390251-01
  • NCGC00169984-03
  • SCHEMBL20339739
  • Q-100315
  • CHEBI:65751
  • (3R,5R)-3,5-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl))-1,4-dihydroxy-cyclohexanecarboxylic acid
  • 1ST40155
  • 3,5-Dicaffeoylquininic acid
  • BDBM50362839
  • UNII-ND94C5E75K
  • 3,5-DICQA
  • A877898
  • (E,E)-3,5-Di-O-caffeoylquinic acid
  • AKOS016007890
  • 3,5-Di-caffeoylquinic acid, >=95% (LC/MS-ELSD)
  • GTPL12548
  • A,3R,4
  • CJ-4-16-4
  • 3,5-dicaffeoyl quinic acid
  • CS-0204164
  • ND94C5E75K
  • AKOS015903388
  • MFCD00951290
  • SCHEMBL13567304
  • Rel-3,5-Dicaffeoylquinic Acid
  • (1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoate
物化性质
实验特性
LogP 1.02960
PSA 211.28000
折射率 1.719
沸点 826.2℃ at 760 mmHg
熔点 170-172°C
蒸气压 0.0±3.2 mmHg at 25°C
闪点 280.4±27.8 °C
颜色与性状 Powder
敏感性 对光线敏感
密度 1.0200
计算特性
精确分子量 516.12700
氢键供体数量 7
氢键受体数量 12
可旋转化学键数量 9
同位素质量 516.12677620 g/mol
重原子数量 37
复杂度 825
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 2
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.5
拓扑分子极性表面积 211
分子量 516.4
生产方法和用途
用途 1、异绿原酸A具有抗血小板聚集、抗菌、消炎的作用。
专业数据库参考
PubChemId 329824809
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