CAS号:519-02-8-苦参碱 - Matrine-科华智慧

1. 主信息

英文名:	Matrine
中文名:	苦参碱
CAS编号:	519-02-8
化学分子式：	C₁₅H₂₄N₂O
化学分子量：	248.36 g/mol
SMILES：	C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
来源：	苦参苦豆子
结构类型：	哌啶类生物碱
其它名称或标识：	matrine Matrine Alkaloids Matrine type Alkaloids matrine, (5beta)-isomer Matrine-type Alkaloids

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%	50	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	224	点击购买	2-8℃	现货	-
科华智慧	5g	试剂级，98%	128	点击购买	2-8℃	现货	-
科华智慧	25g	试剂级，98%	328	点击购买	2-8℃	现货	-
科华智慧	100g	试剂级，98%	1240	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 42 45 0 1 0 0 0 0 0999 V2000 -3.0029 -2.2721 0.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 0.2918 0.5156 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.3679 -0.6363 0.0105 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 0.0748 -0.7475 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2118 1.0736 -0.9091 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8459 -1.3663 -0.8509 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9574 0.7849 0.0820 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2897 -1.6151 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 2.5072 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -2.3855 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 1.6666 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 -0.6578 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 1.7607 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 2.7164 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 -2.1116 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 1.2998 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 -1.0862 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 -0.0448 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 0.2324 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 0.9434 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4336 -1.5019 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6094 0.9205 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -2.6288 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 -1.5548 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 3.2563 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 2.6823 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -2.3294 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -3.4066 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 1.8418 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 1.8121 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 -0.5008 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -0.4876 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 1.8433 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 2.7624 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 3.7164 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 2.6772 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -2.3457 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -2.7754 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 2.0250 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1473 1.2298 1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0641 0.0380 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6462 -0.4062 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

4.2 InChl

InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1

4.3 InChlKey

ZSBXGIUJOOQZMP-JLNYLFASSA-N

4.4 Canonical SMILES

C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1

4.5 lsomeric SMILES

C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 21 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -0.00415524 0.952449 0 0
M  V30 2 C -0.831078 1.42508 0 0
M  V30 3 C -1.65385 0.945252 0 0
M  V30 4 C -2.48725 1.42642 0 0
M  V30 5 C -2.49428 2.38378 0 0
M  V30 6 C -3.32177 2.85483 0 0
M  V30 7 C -4.14498 2.37388 0 0
M  V30 8 N -4.15054 1.41615 0 0
M  V30 9 C -3.31046 0.945472 0 0
M  V30 10 C -3.31011 -0.0223831 0 0
M  V30 11 C -4.13824 -0.506201 0 0
M  V30 12 C -4.96098 -0.0319944 0 0
M  V30 13 C -4.97867 0.93233 0 0
M  V30 14 C -2.47291 -0.488143 0 0
M  V30 15 N -1.64969 -0.00719708 0 0
M  V30 16 C -0.822768 -0.479823 0 0
M  V30 17 O -0.81859 -1.43738 0 0
M  V30 18 C 0 0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 18
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 3 15
M  V30 5 1 3 4
M  V30 6 1 4 9
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 8 13
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 11
M  V30 15 1 10 14
M  V30 16 1 11 12
M  V30 17 1 12 13
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 2 16 17
M  V30 21 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
白刺花	Vetchleaf Sophora	Sophora viciifolia
北豆根	Chinese Cinquefoil	Rhizoma Menispermi
胡椒	Pepper Fruit	Fructus Piperis
胡芦巴	Trigonellae Semen	-
槐花	flower bud of Japanese pagodatree	flos Sophorae
槐角	pod of Japanese pagodatree	fructus Sophorae
黄叶槐	Yellowleaf Sophora	Sophora chrysophylla
苦地丁	all - grass of Bunge Corydalis	Herba Corydalis bungeae
苦豆草	Herba Sophorae alopecuroidis	-
苦豆子	Foxtail-like Sophora	Sophora alopecuroides

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型