CAS号:56293-29-9-苦豆碱 - Aloperine-科华智慧

1. 主信息

英文名:	Aloperine
中文名:	苦豆碱
CAS编号:	56293-29-9
化学分子式：	C₁₅H₂₄N₂
化学分子量：	232.36 g/mol
SMILES：	C1CCN2CC3CC(C2C1)C=C4C3NCCC4
来源：	-
结构类型：	-
其它名称或标识：	6-epi-aloperine Alop1 compound aloperine

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%	128	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	1200	点击购买	2-8℃	现货	-
科华智慧	250mg	98%	384	点击购买	2-8℃	现货	-
科华智慧	1g	98%	640	点击购买	2-8℃	现货	-
科华智慧	5g	98%	1920	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 41 44 0 1 0 0 0 0 0999 V2000 1.1094 -0.6921 -0.2661 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.2017 -1.2737 0.8271 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 0.1599 1.6266 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5582 1.7324 -0.0681 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5803 0.6776 -0.5680 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2660 1.5595 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 0.1133 0.9235 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7140 -0.8794 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 0.8413 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 0.9465 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 1.5755 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -1.7112 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -0.1027 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 -1.5080 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 0.6944 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4785 -0.7673 -1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 -1.3658 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.0139 2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 2.7440 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 0.7675 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1752 1.6809 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 2.3271 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 0.6574 1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 -0.8217 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 -1.8877 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 0.9482 1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 1.9396 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 2.0699 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -1.6985 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 -2.7130 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 0.0558 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 0.0077 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 -2.2452 -0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 -1.6839 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 1.3011 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 1.0631 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -1.6821 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4726 -0.8415 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -1.3486 -1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 -0.8633 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7998 -2.4209 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 2 37 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene

4.2 InChl

InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12-,13+,14+,15+/m0/s1

4.3 InChlKey

SKOLRLSBMUGVOY-GBJTYRQASA-N

4.4 Canonical SMILES

C1CCN2CC3CC(C2C1)C=C4C3NCCC4

4.5 lsomeric SMILES

C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 20 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.66032 0.895715 0 0
M  V30 2 C 4.66067 1.79253 0 0
M  V30 3 C 3.88419 2.24125 0 0
M  V30 4 N 3.10734 1.79315 0 0
M  V30 5 C 2.33055 2.24179 0 0
M  V30 6 C 1.55376 1.79352 0 0
M  V30 7 C 1.55377 0.896604 0 0
M  V30 8 C 2.3302 0.448062 0 0
M  V30 9 C 3.10699 0.896335 0 0
M  V30 10 C 3.88347 0.447618 0 0
M  V30 11 C 1.55364 -7.66596e-05 0 0
M  V30 12 C 0.776978 0.448331 0 0
M  V30 13 C 0.777201 1.34538 0 0
M  V30 14 N 0.00044607 1.7941 0 0
M  V30 15 C -0.776532 1.34576 0 0
M  V30 16 C -0.776755 0.448717 0 0
M  V30 17 C -0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 10
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 9
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 6 13
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 8 9
M  V30 12 1 8 11
M  V30 13 1 9 10
M  V30 14 2 11 12
M  V30 15 1 12 17
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 1 16 17
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

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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