CAS号:524-15-2-γ-崖椒碱 - γ-Fagarine-科华智慧

1. 主信息

英文名:	γ-Fagarine
中文名:	γ-崖椒碱
CAS编号:	524-15-2
化学分子式：	C₁₃H₁₁NO₃
化学分子量：	229.23 g/mol
SMILES：	COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3
来源：	白鲜
结构类型：	喹啉/异喹啉类生物碱
其它名称或标识：	gamma-fagarine

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	5mg	HPLC≥98%	1216	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 28 30 0 0 0 0 0 0 0999 V2000 -1.8949 -2.4156 0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 2.1988 -0.4293 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 -1.4376 0.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 -1.4208 0.2151 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2898 0.9906 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 1.0261 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 -0.2546 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8093 -0.1813 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -1.3343 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 -0.2609 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 2.1701 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1641 -0.5906 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 0.9128 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 2.1304 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1611 -1.9550 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 2.5719 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4019 -2.1499 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 3.1354 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0405 0.0189 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 0.8794 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0144 3.0451 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9374 -2.7057 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 3.6629 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 2.1568 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 2.2639 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 -2.4187 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 -3.0690 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -1.5544 -1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

4,8-dimethoxyfuro[2,3-b]quinoline

4.2 InChl

InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3

4.3 InChlKey

KFBCTNNQFGONHB-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.41516 1.69098 0 0
M  V30 2 O 3.54913 1.19098 0 0
M  V30 3 C 3.54913 0.190983 0 0
M  V30 4 C 4.41516 -0.309017 0 0
M  V30 5 C 4.41516 -1.30902 0 0
M  V30 6 C 3.54913 -1.80902 0 0
M  V30 7 C 2.68311 -1.30902 0 0
M  V30 8 C 2.68311 -0.309017 0 0
M  V30 9 N 1.81708 0.190983 0 0
M  V30 10 C 0.951057 -0.309017 0 0
M  V30 11 C 0.951057 -1.30902 0 0
M  V30 12 C 1.81708 -1.80902 0 0
M  V30 13 O 1.81708 -2.80902 0 0
M  V30 14 C 0.951057 -3.30902 0 0
M  V30 15 C 1.44329e-15 -1.61803 0 0
M  V30 16 C -0.587785 -0.809017 0 0
M  V30 17 O 0 -0 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 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 7 12
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 2 9 10
M  V30 12 1 10 17
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 15
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 2 15 16
M  V30 19 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
白鲜皮	Dictamni Cortex	-
黄柏	Amur Corktree Equivalent plant: Phellodendron chin	Phellodendron amurense
黄柏	Phellodendron bark	Cortex Phellodendri
黄连	rhizome of Chinese Goldthread	Rhizoma Coptidis
九里香	Common Jasminorange Equivalent plant: Murraya pani	Murraya paniculata [Syn. Chalcas paniculata]

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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