CAS号:3486-67-7-掌叶防已碱；巴马汀

1. 主信息

英文名:	Palmatine
中文名:	掌叶防已碱；巴马汀
CAS编号:	3486-67-7
化学分子式：	C₂₁H₂₂NO₄+
化学分子量：	352.4 g/mol
SMILES：	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
来源：	-
结构类型：	-
其它名称或标识：	berbericinine berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, chloride berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, iodide dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride (1:1) dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, hydroxide (1:1)

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%	100	点击购买	2-8℃	现货	-
科华智慧	500mg	HPLC≥98%	1400	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 51 0 0 0 0 0 0 0999 V2000 -5.9807 0.1538 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 -2.1422 0.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 1.5374 0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0198 -0.7400 -0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.2631 0.1053 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4693 2.5254 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 2.4450 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 0.0498 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 1.2271 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 0.0620 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 1.3537 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4653 -1.1157 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 0.2230 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -1.0406 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8888 1.2483 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -1.0605 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 0.1197 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 -1.0319 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 0.3192 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -2.1905 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 -0.8298 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -2.0838 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9663 -3.0800 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5806 1.3752 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 2.0565 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 -0.6444 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 3.3642 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 2.6448 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 2.3668 -1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 3.3564 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 2.3601 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -2.0936 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3449 2.1774 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 -1.9784 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -3.1801 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -2.9843 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 2.1326 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 1.4264 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 3.0576 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5315 -3.9037 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0476 -3.4826 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5803 -2.6133 -1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 1.6193 -1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 2.1952 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6649 1.2230 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 0.2498 -1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -0.5695 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4472 -1.5383 -1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 13 2 0 0 0 0 11 31 1 0 0 0 0 12 14 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 36 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 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 5 1

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4. 国际命名与标识

4.1 IUPAC Name

2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

4.2 InChl

InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1

4.3 InChlKey

QUCQEUCGKKTEBI-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 -1 0 0
M  V30 2 O 5.19615 2.83107e-15 0 0
M  V30 3 C 4.33013 0.5 0 0
M  V30 4 C 3.4641 1.88738e-15 0 0
M  V30 5 C 2.59808 0.5 0 0
M  V30 6 C 1.73205 9.4369e-16 0 0
M  V30 7 N 0.866025 0.5 0 0 CHG=1
M  V30 8 C 0.866025 1.5 0 0
M  V30 9 C 1.73205 2 0 0
M  V30 10 C 2.59808 1.5 0 0
M  V30 11 C 3.4641 2 0 0
M  V30 12 C 4.33013 1.5 0 0
M  V30 13 C 1.19947e-15 2 0 0
M  V30 14 C 2.68738e-15 3 0 0
M  V30 15 C -0.866025 3.5 0 0
M  V30 16 C -1.73205 3 0 0
M  V30 17 C -1.73205 2 0 0
M  V30 18 C -0.866025 1.5 0 0
M  V30 19 C -0.866025 0.5 0 0
M  V30 20 C -0 -0 0 0
M  V30 21 O -2.59808 3.5 0 0
M  V30 22 C -3.4641 3 0 0
M  V30 23 O -0.866025 4.5 0 0
M  V30 24 C -1.73205 5 0 0
M  V30 25 O 3.4641 -1 0 0
M  V30 26 C 2.59808 -1.5 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 12
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 25
M  V30 7 1 5 10
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 7 20
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 8 13
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 2 11 12
M  V30 17 1 13 18
M  V30 18 2 13 14
M  V30 19 1 14 15
M  V30 20 2 15 16
M  V30 21 1 15 23
M  V30 22 1 16 17
M  V30 23 1 16 21
M  V30 24 2 17 18
M  V30 25 1 18 19
M  V30 26 1 19 20
M  V30 27 1 21 22
M  V30 28 1 23 24
M  V30 29 1 25 26
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
瓣蕊唐松草	Petalformed Meadowrue	Thalictrum petaloideum
长距延胡索	Longspur Corydalis	Corydalis longicalcarata
齿瓣延胡索	Toothedpetal Corydalis	Corydalis remota [Syn. Corydalis bulbosa var. typi
刺黄连	Radix et Caulis Mahonae flavidae	-
大叶唐松草	Faber Meadowrue Equivalent plant: Thalictrum acuti	Thalictrum faberi
地枫皮	Difengpi Bark	Cortex Illicii
东北延胡索	Amur Corydalis Equivalent plant: Corydalis repens	Corydalis ambigua var. amurensis [Syn. Corydalis a
短萼黄连	Shortsepal Goldthread	Coptis chinensis var. brevisepala
对叶元胡	Ledeour Corydalis	Corydalis ledebouriana
峨眉野黄连	Omei Mountain Goldthread	Coptis omeiensis

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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