CAS号:36417-86-4-N-反式-对香豆酰酪胺

1. 主信息

英文名:	Paprazine
中文名:	N-反式-对香豆酰酪胺
CAS编号:	36417-86-4
化学分子式：	C₁₇H₁₇NO₃
化学分子量：	283.32 g/mol
SMILES：	C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O
来源：	沙葱
结构类型：	酰胺类
其它名称或标识：	paprazine trans-N-p-coumaroyl tyramine

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	5mg	HPLC≥98%	1200	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 38 39 0 0 0 0 0 0 0999 V2000 -4.9908 -3.4273 0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 2.9930 -0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7039 -2.1240 0.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 1.6137 0.7978 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 1.9576 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 2.3797 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 0.5173 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 -0.4689 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9425 0.2065 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 -1.8002 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 -1.1248 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -2.1283 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 1.9911 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 0.3525 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.0213 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 1.2363 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -0.9594 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6803 0.8516 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 -1.7954 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 0.0157 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 -1.3079 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2369 2.6083 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 2.1179 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 3.4417 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 2.2409 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 -0.2251 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 0.9809 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 0.7607 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 -2.5773 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2502 -1.3672 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 0.1731 0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 2.1180 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 -1.3880 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 1.8806 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 -2.8261 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7818 0.4012 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8091 -3.4711 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.0026 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 37 1 0 0 0 0 2 13 2 0 0 0 0 3 21 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

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

4.2 InChl

InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+

4.3 InChlKey

RXGUTQNKCXHALN-BJMVGYQFSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1CCNC(=O)/C=C/C2=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 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -6.9282 1 0 0
M  V30 2 C -7.79423 1.5 0 0
M  V30 3 C -7.79423 2.5 0 0
M  V30 4 C -6.9282 3 0 0
M  V30 5 C -6.06218 2.5 0 0
M  V30 6 C -6.06218 1.5 0 0
M  V30 7 C -5.19615 1 0 0
M  V30 8 C -5.19615 -5.82867e-15 0 0
M  V30 9 N -4.33013 -0.5 0 0
M  V30 10 C -3.4641 -3.9968e-15 0 0
M  V30 11 O -3.4641 1 0 0
M  V30 12 C -2.59808 -0.5 0 0
M  V30 13 C -1.73205 -2.27596e-15 0 0
M  V30 14 C -0.866025 -0.5 0 0
M  V30 15 C -0.866025 -1.5 0 0
M  V30 16 C 1.58406e-15 -2 0 0
M  V30 17 C 0.866025 -1.5 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 C 0 0 0 0
M  V30 20 O 1.73205 -2 0 0
M  V30 21 O -8.66025 3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 21
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 9 10
M  V30 12 2 10 11
M  V30 13 1 10 12
M  V30 14 2 12 13
M  V30 15 1 13 14
M  V30 16 1 14 19
M  V30 17 2 14 15
M  V30 18 1 15 16
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 1 17 20
M  V30 22 2 18 19
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
地骨皮	root - bark of Chinese Wolfberry	Cortex Lycii Radicis
海风藤	stem of Kadsura Pepper	Caulis Piperis Kadsurae；Caulis Piperis futokadsura
金荞麦	Wild Buckwheat Rhizome	Rhizoma Fagopyri Cymosi
葎草	all-grass of japanese hop	Herba Humuli Scandentis
茄根	root of Garden Eggplant	Radix Solani melongee
水红花子	Prince's-feather Fruit	Fructus Polygoni Orientalis
薤白	bulb of longstamen onion	Bulbus Allii Macrostemi
亚洲文殊兰	Grand Crinum	Crinum asiaticum
洋金花	Datura Flower	Flos Daturae
玉竹	Fragrant Solomonseal Rhizome	Rhizoma Polygoti Odorati

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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