CAS号:2444-46-4-辣椒碱(合成) - Nonivamide-科华智慧

1. 主信息

英文名:	Nonivamide
中文名:	辣椒碱(合成)
CAS编号:	2444-46-4
化学分子式：	C₁₇H₂₇NO₃
化学分子量：	293.4 g/mol
SMILES：	CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
来源：	-
结构类型：	酰胺类
其它名称或标识：	N-vanillylnonanamide vanillyl-N-nonylamide vanillylnonanamide

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%	80	点击购买	2-8℃	现货	-
科华智慧	5g	95%(HPLC)	52	点击购买	2-8℃	现货	-
科华智慧	1g	BR，98%	24	点击购买	2-8℃	现货	-
科华智慧	25g	BR，98%	148	点击购买	2-8℃	现货	-
科华智慧	100g	BR，98%	560	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 48 48 0 0 0 0 0 0 0999 V2000 -0.2486 0.6217 -1.7013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 -2.3688 -0.6944 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -1.8138 1.6129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1437 2.0967 -0.1439 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 -0.0269 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 0.8413 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 0.1133 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 0.6453 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 -0.8284 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 1.4782 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4028 -0.7191 0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 1.3328 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5004 -1.6284 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 2.1470 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 1.0928 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4621 -0.1649 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 1.3714 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2812 -1.1442 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9151 0.3920 1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0077 -0.8658 1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 -2.5721 -1.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -1.0770 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 0.2335 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 0.6072 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.8964 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3924 1.1508 0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 -0.1129 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 -0.4153 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.9232 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7669 -1.8627 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3584 -0.5874 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.1725 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4474 2.5391 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.3163 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1847 -0.9847 1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -1.5351 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7655 -1.3659 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -2.6762 0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 2.6385 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 2.0392 -1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 3.1467 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8786 -0.3238 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 2.3468 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4752 0.6223 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2338 -1.4432 2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 -1.9121 -2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -2.4929 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 -3.5988 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 45 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 39 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 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide

4.2 InChl

InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

4.3 InChlKey

RGOVYLWUIBMPGK-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.52628 -1.5 0 0
M  V30 2 C 9.52628 -0.5 0 0
M  V30 3 C 8.66025 5.82867e-15 0 0
M  V30 4 C 7.79423 -0.5 0 0
M  V30 5 C 6.9282 4.66294e-15 0 0
M  V30 6 C 6.06218 -0.5 0 0
M  V30 7 C 5.19615 3.16414e-15 0 0
M  V30 8 C 4.33013 -0.5 0 0
M  V30 9 C 3.4641 1.66533e-15 0 0
M  V30 10 O 3.4641 1 0 0
M  V30 11 N 2.59808 -0.5 0 0
M  V30 12 C 1.73205 8.32667e-16 0 0
M  V30 13 C 0.866025 -0.5 0 0
M  V30 14 C 0.866025 -1.5 0 0
M  V30 15 C 3.89162e-15 -2 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -0.866025 -0.5 0 0
M  V30 18 C -0 -0 0 0
M  V30 19 O -1.73205 -2 0 0
M  V30 20 O 3.17289e-15 -3 0 0
M  V30 21 C -0.866025 -3.5 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 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 18
M  V30 14 2 13 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 15 20
M  V30 18 1 16 17
M  V30 19 1 16 19
M  V30 20 2 17 18
M  V30 21 1 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
蜂斗菜	Japanese Butterbur	Petasites japonicus
辣椒	Hot pepper	fructus Capsici

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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