咖啡酸苯乙酯 | 104594-70-9

中文名称:咖啡酸苯乙酯
英文名称:Caffeic acid phenethyl ester
CAS No.:104594-70-9
分子式:C17H16O4 分子量:284.3065
简介
Caffeic acid phenethyl ester 是一种 NF-κB 抑制剂。
名称和标识符
  • MDL:MFCD00866470
  • InChIKey:SWUARLUWKZWEBQ-VQHVLOKHSA-N
  • Inchi:1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
  • SMILES:O(C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
中文别名
  • 咖啡酸苯乙酯
  • 咖啡酸β-苯乙醇酯
  • N-甲基-4-硝基苯胺
  • Phenethyl Caffeate 咖啡酸苯乙酯
  • zzstandard 品牌 咖啡酸苯乙酯对照品
  • 咖啡酸苯乙醇酯
  • 咖啡酸苯乙基 酯(CAPE)(RG)
  • 咖啡酸苯乙酯(蜂胶的活性成分之一)
  • 3,4-二羟基肉桂酸苯乙酯
  • 咖啡酸苯乙酯标准品
  • 咖啡酸苯乙酯CAPE
  • CAPE (咖啡酸苯乙酯)
  • CAPE、咖啡酸Β-苯乙醇酯
  • 咖啡酸苯乙酯, 一种蛋白酪氨酸激酶和鸟氨酸脱羧酶抑制剂
  • 咖啡酸苯乙酯生产厂家
英文别名
  • Phenethyl 3-(3,4-dihydroxyphenyl)acrylate
  • CAPE
  • Phenylethyl caffeate
  • Caffeic acid phenethyl ester
  • Phenethyl caffeate
  • CAFFEIC ACID PHENETHYL ESTER(CAPE)(P)
  • Caffeic acid phenylethyl ester
  • CAFFEIC ACID PHENYLETHYL ESTER(CAPE)(RG) PrintBack
  • Caffeic acid-phenethyl ester
  • Calcon (C.I.15705)
  • 3,4-Dihydroxycinnamic Acid Phenethyl Ester
  • Phenethyl 3,4-Dihydroxycinnamate
  • Phenylethy caffeate
  • CAPE,PhenethylCaffeate
  • Caffeic acid phenethyl
  • Propolis powder extract
  • beta-phenylethylcaffeate
  • PHENETHYL CAFFEATE (CAPE)
  • KAFFEESUREPHENYLETHYLESTER
  • CAFFEICACIDPHENYLETHERESTER
  • Capeee
  • 2-phenylethyl caffeate
  • G960R9S5SK
  • Caffeic acid 2-phenylethyl ester
  • SWUARLUWKZWEBQ-VQHVLOKHSA-N
  • 2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
  • Caffeic Acid Phenethyl Ester, Synthetic
  • 2-phenylethyl (E
  • Caffeic acid beta-phenylethyl ester
  • SR-01000075785-6
  • 115610-29-2
  • phenethyl 3,4-dihydroxycinnamate
  • Phenethyl (E)-caffeate
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)-
  • caffeic acid phenylethyl ester
  • HMS3260F20
  • caffeic acid phenethylester
  • 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • SR-01000075785-9
  • Phenylethyl caffeate, (E)-
  • s7414
  • HMS1791N22
  • (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
  • 104594-70-9
  • SR-01000075785-1
  • Phenylethyl 3,4-dihydroxycinnamate
  • NCGC00260954-01
  • HMS1361N22
  • (E)-phenethyl3-(3,4-dihydroxyphenyl)acrylate
  • FR102
  • CCG-39542
  • BSPBio_003586
  • C-1400
  • Caffeic acid phenethyl ester, >=97% (HPLC), powder
  • NCGC00093727-02
  • MLS000859889
  • DTXSID80861176
  • CHEBI:93478
  • BSPBio_001560
  • NCGC00093727-06
  • AC-8896
  • HMS1989N22
  • MLS002207297
  • caffeic acidphenethylester
  • BRD-K84709232-001-02-6
  • 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
  • BRD-K96188950-001-04-5
  • UNII-G960R9S5SK
  • phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • NCGC00093727-05
  • AS-14021
  • EU-0100269
  • Tox21_500269
  • caffeic-acid-phenethyl-ester
  • C 8221
  • MFCD00866470
  • HY-N0274
  • NCGC00093727-04
  • LP00269
  • HMS2233J04
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester
  • NCGC00093727-07
  • AKOS015888207
  • CHEMBL319244
  • 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • Caffeic acid ester
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
  • NCGC00093727-03
  • PHENETHYL CAFFEATE [INCI]
  • SPECTRUM1502209
  • NCGC00093727-08
  • Methanone, 1,1'-(1,2-cyclopropanediyl)bis[1-phenyl-
  • LS-14562
  • Caffeic acid-phenylethyl ester
  • Lopac0_000269
  • BDBM50029207
  • NCGC00093727-01
  • Trans-Caffeic Acid Phenethyl Ester
  • (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate
  • SDCCGSBI-0050257.P002
  • Caffeic acid phenethyl ester(CAPE)
  • phenethyl 3-(3,4-dihydroxyphenyl)acrylate
  • SW219156-1
  • BRD-K96188950-001-02-9
  • HMS3402N22
  • caffeic acid phenylethylester
  • 2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate
  • CS-0008774
  • SMR000326751
  • 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
  • Q15410860
  • IDI1_034030
  • HMS3413D22
  • 100981-80-4
  • QTL1_000016
  • HMS3649C16
  • BCP27877
  • QAP
  • CHEBI:8062
  • HMS3677D22
  • NCGC00093727-09
  • NCGC00093727-16
  • SR-01000075785
  • MLSMR
  • Phenetyl caffeate
  • 2-Phenylethyl caffeoate
计算特性
  • 精确分子量:284.10500
  • 氢键供体数量:2
  • 氢键受体数量:4
  • 可旋转化学键数量:6
  • 同位素质量:284.10485899 g/mol
  • 重原子数量:21
  • 复杂度:347
  • 同位素原子数量:0
  • 确定原子立构中心数量:0
  • 不确定原子立构中心数量:0
  • 确定化学键立构中心数量:1
  • 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):4.2
  • 互变异构体数量:10
  • 表面电荷:0
  • 拓扑分子极性表面积:66.8
  • 分子量:284.31
实验特性
  • LogP:2.89690
  • PSA:66.76000
  • 沸点:498.6±45.0 °C at 760 mmHg
  • 熔点:127.0 to 131.0 deg-C
  • 蒸气压:0.0±1.3 mmHg at 25°C
  • 闪点:185.1±22.2 °C
  • 溶解度:Soluble in ethyl acetate at 50mg/ml. Soluble in DMSO and ethanol.
  • 颜色与性状:Powder
  • 敏感性:Light Sensitive
  • 最大波长(λmax):323(lit.)
  • 密度:1.2660
国际标准相关数据
  • EINECS:24278341
海关数据
  • 海关编码:2918290000
  • 海关数据:

    中国海关编码:

    2918290000

    概述:

    2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

    申报要素:

    品名, 成分含量, 用途

    监管条件:

    A.入境货物通关单
    B.出境货物通关单

    检验检疫类别:

    R.进口食品卫生监督检验
    S.出口食品卫生监督检验

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

专业数据库参考
参考资料
  • Reaxys RN:4752508
  • Beilstein:MFCD00866470