CAS号:73-03-0-虫草素 - Cordycepin-科华智慧

1. 主信息

英文名:	Cordycepin
中文名:	虫草素
CAS编号:	73-03-0
化学分子式：	C₁₀H₁₃N₅O₃
化学分子量：	251.24 g/mol
SMILES：	C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO
来源：	蛹虫草
结构类型：	核苷/核苷酸类
其它名称或标识：	3'-deoxyadenosine 9-cordyceposidoadenine cordycepene cordycepin cordycepine

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	-20℃	现货	-
科华智慧	100mg	98%	204	点击购买	-20℃	现货	-
科华智慧	500mg	98%	768	点击购买	-20℃	现货	-
科华智慧	5g	98%	4000	点击购买	-20℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 31 33 0 1 0 0 0 0 0999 V2000 2.1965 0.2856 0.9718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 -2.5534 -0.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 2.1904 0.3973 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 0.1514 0.1438 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 1.8574 -0.4728 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 -1.5132 0.6236 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 -0.6256 0.2376 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3453 1.6120 -0.5198 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -0.6022 0.4426 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8158 -1.2813 -0.7682 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2635 -1.3834 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 -0.0999 0.4426 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0156 1.0378 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3059 -0.2973 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 1.4504 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0936 0.7751 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 0.5788 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 -1.5827 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 -1.3222 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -0.6772 -1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -2.2542 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 -1.5115 -1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 -0.2646 1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 1.2962 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9885 0.7838 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 2.0506 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 -2.4191 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 2.4020 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 -2.5340 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9808 2.5114 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3422 1.4445 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 15 2 0 0 0 0 5 16 1 0 0 0 0 6 14 2 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 18 29 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

4.2 InChl

InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1

4.3 InChlKey

OFEZSBMBBKLLBJ-BAJZRUMYSA-N

4.4 Canonical SMILES

C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO

4.5 lsomeric SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 20 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.12255 0.347798 0 0
M  V30 2 C 3.33046 -0.63035 0 0
M  V30 3 O 2.46444 -1.13035 0 0
M  V30 4 C 1.72129 -0.461219 0 0
M  V30 5 C 2.12803 0.452327 0 0
M  V30 6 O 1.62803 1.31835 0 0
M  V30 7 N 0.743145 -0.669131 0 0
M  V30 8 C 0.336408 -1.58268 0 0
M  V30 9 N -0.658114 -1.47815 0 0
M  V30 10 C -0.866025 -0.5 0 0
M  V30 11 C -1.73205 -0 0 0
M  V30 12 N -1.73205 1 0 0
M  V30 13 C -0.866025 1.5 0 0
M  V30 14 N -2.77556e-16 1 0 0
M  V30 15 C 0 -0 0 0
M  V30 16 N -2.59808 -0.5 0 0
M  V30 17 C 4.24401 -1.03709 0 0
M  V30 18 O 4.34854 -2.03161 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 5
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 17
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 4 7
M  V30 8 1 5 6
M  V30 9 1 7 15
M  V30 10 1 7 8
M  V30 11 2 8 9
M  V30 12 1 9 10
M  V30 13 1 10 15
M  V30 14 2 10 11
M  V30 15 1 11 12
M  V30 16 1 11 16
M  V30 17 2 12 13
M  V30 18 1 13 14
M  V30 19 2 14 15
M  V30 20 1 17 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
碧桃干	Fructus pruni immaturus	-
大青叶	Isatis leaf	Folium Isatidis
冬虫夏草	Chinese Caterpillar Fungus	Cordyceps
藕节	node of lotus rhizome	nodus nelumbinis rhizomatis
茄根	root of Garden Eggplant	Radix Solani melongee
人工蛹虫草	Cultivated Scarlet Caterpillar Fungus	Cordyceps militaris cv
桃根	Peach Root	Prunus persica
桃花	Peach Flower Equivalent plant: SHAN TAO HUA	Prunus persica
桃胶	Resina Persicae	-
桃茎白皮	Peach Bast Equivalent plant: Prunus davidiana	Prunus persica

回顶

7. 相关靶点

基因靶点	靶点位置	参考文献
AKT1	14q32.33	22537056
AKT2	19q13.2	22537056
CEBPB	20q13.13	22537056
CEBPB	20q13.13	27063964
CRTC1	19p13.11	22537056
CTNNB1	3p22.1	30081068
DDIT3	12q13.3	21597460
EIF2S1	14q23.3	21597460
GSK3B	3q13.33	30081068
MAPK1	22q11.22	27063964

回顶

8. 相关疾病

疾病名称	疾病类型	参考文献
Glioma	disease	30081068
Lung Neoplasms	group	30974169
Obesity	disease	22537056
Stomach Neoplasms	group	27063964
Ulcer	phenotype	31182708

回顶