CAS号:578-86-9-甘草素;甘草醇 - Liquiritigenin-科华智慧

1. 主信息

英文名:	Liquiritigenin
中文名:	甘草素;甘草醇
CAS编号:	578-86-9
化学分子式：	C₁₅H₁₂O₄
化学分子量：	256.25 g/mol
SMILES：	C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
来源：	甘草
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	7,4'-dihydroxyflavanone liquiritigenin

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
科华智慧	20mg	HPLC≥98%	80	2-8℃	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 0.2957 -0.6770 -0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 3.1303 -0.0259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 -2.5665 -0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9713 -0.7899 -0.2509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 0.4025 0.4021 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1141 1.7290 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 0.0833 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 1.9967 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 0.8052 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -0.4656 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 -0.0906 1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -0.0356 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 0.9453 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 -1.5985 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8485 -1.4608 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 -0.1922 0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 -0.3838 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8365 -0.3288 -1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6501 -0.5030 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 0.4561 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 2.5485 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2935 1.7215 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 -0.0008 2.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8631 0.0849 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0814 1.9246 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 -2.5890 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 -0.0757 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7383 -0.5185 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 -0.4216 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 -2.2873 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1733 -0.8352 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 8 2 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 12 18 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 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

(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1

4.3 InChlKey

FURUXTVZLHCCNA-AWEZNQCLSA-N

4.4 Canonical SMILES

C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O

4.5 lsomeric SMILES

C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 2.5 0 0
M  V30 2 C -0.866025 1.5 0 0
M  V30 3 O -1.73205 1 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -2.59808 2.5 0 0
M  V30 6 C -1.73205 3 0 0
M  V30 7 O -1.73205 4 0 0
M  V30 8 C -3.4641 3 0 0
M  V30 9 C -4.33013 2.5 0 0
M  V30 10 C -4.33013 1.5 0 0
M  V30 11 C -3.4641 1 0 0
M  V30 12 O -5.19615 1 0 0
M  V30 13 C -3.33067e-16 1 0 0
M  V30 14 C 0.866025 1.5 0 0
M  V30 15 C 1.73205 1 0 0
M  V30 16 C 1.73205 5.55112e-16 0 0
M  V30 17 C 0.866025 -0.5 0 0
M  V30 18 C 0 -0 0 0
M  V30 19 O 2.59808 -0.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 13
M  V30 5 1 3 4
M  V30 6 1 4 11
M  V30 7 2 4 5
M  V30 8 1 5 6
M  V30 9 1 5 8
M  V30 10 2 6 7
M  V30 11 2 8 9
M  V30 12 1 9 10
M  V30 13 2 10 11
M  V30 14 1 10 12
M  V30 15 1 13 18
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 1 16 19
M  V30 21 2 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
板蓝根	Root of Dyers Woad.	Radix Isatidis seu Baphicacanthi
朝鲜淫羊藿	Korean Epimedium	Epimedium koreanum
垂盆草	all - grass of Stringy stonecrop	Herba Sedi sarmentosi
刺槐花	Black Locust Flower	Robinia pseudoacacia
冬瓜皮	Chinese Waxgourd Peel	Exocarpium Benincasae
蜂胶	Propolis	Apis mellifera ligustica
甘草	Root of Ural Licorice	Radix Glycyrrhizae
葛花	flower bud of lobed kudzuvine	flos puerariae lobatae
光果甘草	Licorice	Glycyrrhiza glabra
红芪	Hedysari Radix	-

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