CAS号:475-81-0-海罂粟碱 - Glaucine-科华智慧

1. 主信息

英文名:	Glaucine
中文名:	海罂粟碱
CAS编号:	475-81-0
化学分子式：	C₂₁H₂₅NO₄
化学分子量：	355.4 g/mol
SMILES：	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
来源：	紫金龙
结构类型：	喹啉/异喹啉类生物碱
其它名称或标识：	glaucine glaucine acetate, (+-)-isomer glaucine citrate, (+-)-isomer glaucine hydrobromide, (+-)-isomer glaucine hydrobromide, (R)-isomer

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 51 54 0 1 0 0 0 0 0999 V2000 -0.3085 2.7742 -0.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 3.2891 -0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7946 -1.0732 -0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 1.4850 0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2446 -3.0925 -0.2554 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.1867 -2.1236 0.1328 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6505 -0.6656 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 -2.2938 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0256 -0.3603 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4846 -2.8016 0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 0.3723 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0545 -1.4563 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -1.2797 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 0.0269 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 1.7011 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4438 0.9730 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 -4.4808 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 1.9980 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4983 -1.6339 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 0.9379 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -0.7091 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 0.5737 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 3.2003 -1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1356 3.9640 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3689 -1.6319 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 2.3069 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 -2.2923 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 -2.1751 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 -3.2958 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 -2.8052 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 -3.5671 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 -1.1939 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 -1.5402 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 1.2100 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5575 -4.6389 1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 -4.7900 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -5.1664 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7838 -2.6374 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5593 1.9325 0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 2.3660 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 3.9531 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9159 3.6550 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9035 3.4589 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 4.9824 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1982 4.0155 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 -1.8626 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -2.5579 1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -0.9162 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7952 2.9107 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 1.6954 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 2.9781 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 18 2 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 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 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

4.2 InChl

InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1

4.3 InChlKey

RUZIUYOSRDWYQF-HNNXBMFYSA-N

4.4 Canonical SMILES

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC

4.5 lsomeric SMILES

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.439 -2.30674 0 0
M  V30 2 N 2.42922 -1.37708 0 0
M  V30 3 C 3.22728 -0.910826 0 0
M  V30 4 C 3.22326 0.0125277 0 0
M  V30 5 C 2.41531 0.478994 0 0
M  V30 6 C 2.4085 1.40711 0 0
M  V30 7 C 1.60629 1.86377 0 0
M  V30 8 C 0.808219 1.39752 0 0
M  V30 9 C 0.802833 0.469038 0 0
M  V30 10 C 1.61724 0.0127408 0 0
M  V30 11 C 1.61759 -0.925548 0 0
M  V30 12 C 0.814757 -1.39459 0 0
M  V30 13 C 0.017146 -0.934866 0 0
M  V30 14 C -0.783898 -1.41715 0 0
M  V30 15 C -1.60209 -0.964563 0 0
M  V30 16 C -1.61923 -0.0296977 0 0
M  V30 17 C -0.81819 0.452584 0 0
M  V30 18 C 0 -0 0 0
M  V30 19 O -2.43155 0.419639 0 0
M  V30 20 C -2.44858 1.3478 0 0
M  V30 21 O -2.39739 -1.44338 0 0
M  V30 22 C -3.2097 -0.994048 0 0
M  V30 23 O 0.00791589 1.85992 0 0
M  V30 24 C -0.792691 1.39804 0 0
M  V30 25 O 1.6011 2.78684 0 0
M  V30 26 C 0.799103 3.24387 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 11
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 10
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 25
M  V30 11 1 8 9
M  V30 12 1 8 23
M  V30 13 1 9 18
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 1 11 12
M  V30 17 1 12 13
M  V30 18 1 13 18
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 2 15 16
M  V30 22 1 15 21
M  V30 23 1 16 17
M  V30 24 1 16 19
M  V30 25 2 17 18
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
贝加尔唐松草	Baikal Meadowrue	Thalictrum baicalense
东北延胡索	Amur Corydalis Equivalent plant: Corydalis repens	Corydalis ambigua var. amurensis [Syn. Corydalis a
黄花海罂粟	Yellowflower Hornpoppy	Glaucium davum
马尾莲	root and rhizome of Manyleaf Meadowrue	Radix et Rhizoma Thalictri
三七花	Notoginseng Flos	-
山延胡索	Bird-in-a-bush	Corydalis bulbosa [Syn. Corydalis solida ]
石榴皮	Pomegrate Rind	Pericarpium Grati
隧毛荷包牡丹	Wild Bleedingheart	Dicentra eximia
香唐松草	Tibetan Meadowrue	Thalictrum foetidum
小果唐松草	Smallfruit Meadowrue	Thalictrum microgynum

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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