CAS号:24240-04-8-别隐品碱 - Allocryptopine-科华智慧

1. 主信息

英文名:	Allocryptopine
中文名:	别隐品碱
CAS编号:	24240-04-8
化学分子式：	C₂₁H₂₃NO₅
化学分子量：	369.4 g/mol
SMILES：	CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
来源：	白屈菜延胡索两面针博落回石生黄堇
结构类型：	喹啉/异喹啉类生物碱
其它名称或标识：	allo-cryptopine allocryptopine

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%	3360	点击购买	2-8°C	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 50 53 0 1 0 0 0 0 0999 V2000 5.9670 -0.4469 -0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 1.8643 -0.4545 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 -1.4300 0.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 0.6422 2.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7432 0.8133 -0.0482 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 -1.5890 -0.8038 N 0 0 2 0 0 0 0 0 0 0 0 0 0.6886 -2.5921 -0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 -2.1348 0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 -1.4196 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -1.0012 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -0.1206 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 1.1606 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.3641 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0829 1.4046 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 0.7790 0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 -1.3241 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 -0.2155 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 1.3869 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 -1.9463 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -0.2996 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 1.0182 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 2.2928 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 0.9190 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 2.1746 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3551 0.9288 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4871 -1.9068 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3941 0.6780 -1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 -2.8367 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 -3.5250 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 -2.9975 1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -1.8818 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -1.4252 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 -2.3020 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.0600 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 2.4815 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1299 -2.3573 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 2.4325 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -1.1841 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -2.9118 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 -1.9992 -2.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 3.2890 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 3.0679 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 1.0612 -1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 1.1509 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -1.9080 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8557 -2.9331 1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2651 -1.2945 1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0516 -0.2244 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2104 1.5597 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4697 0.5926 -1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 23 2 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one

4.2 InChl

InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3

4.3 InChlKey

HYBRYAPKQCZIAE-UHFFFAOYSA-N

4.4 Canonical SMILES

CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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
白蔹	root of Japanese Ampelopsis	Radix Ampelopsis
白屈菜	Chelidonii Herba	-
瓣蕊唐松草	Petalformed Meadowrue	Thalictrum petaloideum
博落回	Pink Plumepoppy	Macleaya cordata
齿瓣延胡索	Toothedpetal Corydalis	Corydalis remota [Syn. Corydalis bulbosa var. typi
大叶唐松草	Faber Meadowrue Equivalent plant: Thalictrum acuti	Thalictrum faberi
东北延胡索	Amur Corydalis Equivalent plant: Corydalis repens	Corydalis ambigua var. amurensis [Syn. Corydalis a
蓟罂粟	Mexican Pricklepoppy	Argemone mexicana
金丝马尾连	Gold-enthread Meadowrue	Thalictrum glandulosissimum
橘络	Citri Fructus Retinervus	-

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