CAS号:66648-43-9-N-反式-阿魏酰基酪胺 - N-Trans-feruloyltramine-科华智慧

1. 主信息

英文名:	N-Trans-feruloyltramine
中文名:	N-反式-阿魏酰基酪胺
CAS编号:	66648-43-9
化学分子式：	C₁₈H₁₉NO₄
化学分子量：	313.3 g/mol
SMILES：	COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
来源：	叠鞘石斛
结构类型：	酰胺类
其它名称或标识：	feruloyltyramine feruloyltyramine, (E)-isomer feruloyltyramine, (Z)-isomer moupinamide N-feruloyltyramine

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	1280	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 42 43 0 0 0 0 0 0 0999 V2000 4.0509 -2.5130 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0653 -3.5821 -0.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 3.2930 -0.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 -1.2626 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 1.6570 0.9217 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 1.9368 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 2.3080 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 0.4607 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 -0.3780 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 -0.0303 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6873 -1.7424 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 -1.3947 0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 2.2114 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 0.9294 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7868 -2.2508 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 1.7147 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 1.3286 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -0.4316 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -1.1750 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 1.5674 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 -0.5471 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 0.8241 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1644 -2.9233 1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8469 2.5020 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 2.2502 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8287 3.3929 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 2.0159 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 0.7499 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 0.0070 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9535 0.6281 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -2.4041 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4597 -1.7784 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 2.6715 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 0.3983 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 -0.9596 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 2.6351 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 1.3258 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8586 -3.7581 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 -0.6631 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 -2.5161 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1231 -2.6037 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 -4.0150 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 15 1 0 0 0 0 2 38 1 0 0 0 0 3 13 2 0 0 0 0 4 21 1 0 0 0 0 4 39 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

4.2 InChl

InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

4.3 InChlKey

NPNNKDMSXVRADT-WEVVVXLNSA-N

4.4 Canonical SMILES

COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O

4.5 lsomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.9282 -3 0 0
M  V30 2 O 6.9282 -2 0 0
M  V30 3 C 6.06218 -1.5 0 0
M  V30 4 C 5.19615 -2 0 0
M  V30 5 C 4.33013 -1.5 0 0
M  V30 6 C 4.33013 -0.5 0 0
M  V30 7 C 5.19615 8.88178e-15 0 0
M  V30 8 C 6.06218 -0.5 0 0
M  V30 9 C 5.19615 1 0 0
M  V30 10 C 4.33013 1.5 0 0
M  V30 11 C 3.4641 1 0 0
M  V30 12 O 2.59808 1.5 0 0
M  V30 13 N 3.4641 8.65974e-15 0 0
M  V30 14 C 2.59808 -0.5 0 0
M  V30 15 C 1.73205 4.21885e-15 0 0
M  V30 16 C 0.866025 -0.5 0 0
M  V30 17 C 0.866025 -1.5 0 0
M  V30 18 C 4.3219e-15 -2 0 0
M  V30 19 C -0.866025 -1.5 0 0
M  V30 20 C -0.866025 -0.5 0 0
M  V30 21 C -0 -0 0 0
M  V30 22 O -1.73205 -2 0 0
M  V30 23 O 5.19615 -3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 23
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 9
M  V30 11 2 9 10
M  V30 12 1 10 11
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 1 13 14
M  V30 16 1 14 15
M  V30 17 1 15 16
M  V30 18 1 16 21
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 2 18 19
M  V30 22 1 19 20
M  V30 23 1 19 22
M  V30 24 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
白花油麻藤	Whiteflower Mucuna	Mucuna birdwoodiana
白木香	Chinese Eaglewood	Aquilaria sinensis
苍白秤钩风	Glaucesent Diploclisia	Diploclisia glaucescens
苍耳子	fruit of Siberian Cockleblur	Fructus Xanthii sibirici
川楝子	Szechwan Chiberry Fruit	Fructus Meliae Toosendan
刺蒺藜	Puncturevine Caltrap	Tribulus terrestris
刺天茄	Khasi Nightshade Fruit	Solanum khasianum
大枣	Jujube Chinese date	Fructus Zizyphi Jujubae
地骨皮	root - bark of Chinese Wolfberry	Cortex Lycii Radicis
番荔枝	Custard Apple	Annona squamosa

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型