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2-丙烯酸,3-(3,4-二羟基-5-甲氧基苯基)- | 1782-55-4

2-丙烯酸,3-(3,4-二羟基-5-甲氧基苯基)-结构式图片|1782-55-4结构式图片
2-丙烯酸,3-(3,4-二羟基-5-甲氧基苯基)-
2-Propenoic acid,3-(3,4-dihydroxy-5-methoxyphenyl)-
1782-55-4
C10H10O5
210.1834
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-丙烯酸,3-(3,4-二羟基-5-甲氧基苯基)-结构式
329760617
简介
5-Hydroxyferulic acid 是一种羟基肉桂酸,是苯丙烷途径的代谢产物。5-Hydroxyferulic acid 是芥子酸生物合成中的前体,也是 COMT 非酯化底物。
名称和标识符
MDL MFCD03002791
InChIKey YFXWTVLDSKSYLW-NSCUHMNNSA-N
Inchi InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+
SMILES OC1=C(O)C(OC)=CC(/C=C/C(O)=O)=C1
别名信息
- 中文别名 -
- 英文别名 -
  • 2-Propenoic acid,3-(3,4-dihydroxy-5-methoxyphenyl)-
  • (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
  • 5-hydroxyferulic acid
  • (2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
  • 3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid
  • 3-Methoxycaffeic acid
  • 5-Hydroxyferulic acid
  • (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid
  • Q1033729
  • Q1033729
  • 110642-42-7
  • 110642-42-7
  • EN300-1828675
  • 3,4-dihydroxy-5-methoxycinnamic acid
  • EN300-1828675
  • 1782-55-4
  • 3,4-dihydroxy-5-methoxycinnamic acid
  • (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoic acid
  • (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoic acid
  • 1782-55-4
  • Cinnamic acid, 3,4-dihydroxy-5-methoxy-
  • Cinnamic acid, 3,4-dihydroxy-5-methoxy-
  • (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoic acid
  • PD164672
  • PD164672
  • Cinnamic acid, 3,4-dihydroxy-5-methoxy-
  • (E)-5-hydroxyferulic acid
  • (E)-5-hydroxyferulic acid
  • PD164672
  • CHEBI:20582
  • CHEBI:20582
  • (E)-5-hydroxyferulic acid
  • 5-Hydroxyferulic acid methyl ester
  • 5-Hydroxyferulic acid methyl ester
  • CHEBI:20582
  • 2041-35-2
  • 2041-35-2
  • 5-Hydroxyferulic acid methyl ester
  • HFL
  • HFL
  • 2041-35-2
  • CS-0110087
  • CS-0110087
  • HFL
  • C05619
  • C05619
  • CS-0110087
  • trans-5-hydroxyferulic acid
  • trans-5-hydroxyferulic acid
  • C05619
  • 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-
  • 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-
  • trans-5-hydroxyferulic acid
  • hydroxyferulic acid
  • hydroxyferulic acid
  • 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-
  • CHEMBL4205174
  • CHEMBL4205174
  • 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic acid
  • hydroxyferulic acid
  • 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic acid
  • DTXSID001347297
  • CHEMBL4205174
  • DTXSID001347297
  • 3-methoxy-4,5-dihydroxy-trans-cinnamic acid
  • 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic acid
  • 3-methoxy-4,5-dihydroxy-trans-cinnamic acid
  • 3,4-Dihydroxy-5-methoxycinnamic acid, >=95.0% (HPLC)
  • DTXSID001347297
  • 3,4-Dihydroxy-5-methoxycinnamic acid, >=95.0% (HPLC)
  • MFCD03002791
  • 3-methoxy-4,5-dihydroxy-trans-cinnamic acid
  • MFCD03002791
  • 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
  • 3,4-Dihydroxy-5-methoxycinnamic acid, >=95.0% (HPLC)
  • 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
  • AKOS040736324
  • MFCD03002791
  • AKOS040736324
  • CHEBI:2069
  • 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
  • CHEBI:2069
  • HY-133068
  • AKOS040736324
  • HY-133068
  • 3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoic acid
  • CHEBI:2069
  • 3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoic acid
  • Hydroxy Ferulic Acid
  • Hydroxy Ferulic Acid
  • HY-133068
  • R3LZY3E4HE
  • R3LZY3E4HE
  • 3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoic acid
  • 3,4-Dihydroxy-5-methoxycinnamoic acid
  • 3,4-Dihydroxy-5-methoxycinnamoic acid
  • Hydroxy Ferulic Acid
  • SCHEMBL10085810
  • SCHEMBL10085810
  • R3LZY3E4HE
  • 3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid, 9CI
  • 3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid, 9CI
  • 3,4-Dihydroxy-5-methoxycinnamoic acid
  • 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, (2E)-
  • 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, (2E)-
  • SCHEMBL10085810
  • 3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid, 9CI
  • 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, (2E)-
  • Q27109313
  • DTXSID901030502
  • AKOS028113960
  • SCHEMBL197850
  • 3-methoxycaffeic acid
物化性质
实验特性
折射率 1.664
沸点 449.1°Cat760mmHg
闪点 182.8°C
密度 1.44
计算特性
精确分子量 210.053
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 3
同位素质量 210.053
重原子数量 15
复杂度 250
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) 1.1
拓扑分子极性表面积 87Ų
专业数据库参考
PubChemId 329760617
参考资料
Beilstein 2697317
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