CAS号:60197-60-6-甘草黄酮醇 - Licoflavonol-科华智慧

1. 主信息

英文名:	Licoflavonol
中文名:	甘草黄酮醇
CAS编号:	60197-60-6
化学分子式：	C₂₀H₁₈O₆
化学分子量：	354.4 g/mol
SMILES：	CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C
来源：	-
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	-

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%	1920	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 44 46 0 0 0 0 0 0 0999 V2000 1.2600 -0.9224 0.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8323 1.5795 0.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8881 -3.1828 0.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 2.6284 0.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 2.7229 0.5202 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5065 -0.6534 -0.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -0.7887 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 0.3800 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 -0.8345 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 0.4088 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3509 -0.7726 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -2.0058 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 -2.0304 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 1.6263 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 0.2477 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 1.4822 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0978 -0.6850 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 0.0119 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9317 0.2875 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 -0.1616 1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -0.0382 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6463 0.3115 -2.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2235 1.4703 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -0.3849 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3433 -0.2617 -1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 -0.4351 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6903 -1.6734 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6176 0.0126 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -2.9795 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 -1.5226 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 -0.1257 2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 0.0947 -2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 2.3372 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -3.0462 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4149 -0.5754 -2.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7300 0.3389 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3507 1.1923 -2.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6019 1.5698 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0839 2.3964 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2676 1.4349 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2786 -0.5185 1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 -0.2998 -2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 2.3975 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9281 -0.7507 0.2317 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 10 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 34 1 0 0 0 0 4 16 1 0 0 0 0 4 43 1 0 0 0 0 5 14 2 0 0 0 0 6 26 1 0 0 0 0 6 44 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 31 1 0 0 0 0 21 25 2 0 0 0 0 21 32 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one

4.2 InChl

InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3

4.3 InChlKey

TVMHBSODLWMMMV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -6.9282 4 0 0
M  V30 2 C -6.06218 4.5 0 0
M  V30 3 C -5.19615 4 0 0
M  V30 4 C -5.19615 3 0 0
M  V30 5 C -4.33013 2.5 0 0
M  V30 6 C -3.4641 3 0 0
M  V30 7 C -2.59808 2.5 0 0
M  V30 8 C -2.59808 1.5 0 0
M  V30 9 C -3.4641 1 0 0
M  V30 10 C -4.33013 1.5 0 0
M  V30 11 O -5.19615 1 0 0
M  V30 12 O -1.73205 1 0 0
M  V30 13 C -0.866025 1.5 0 0
M  V30 14 C -0.866025 2.5 0 0
M  V30 15 C -1.73205 3 0 0
M  V30 16 O -1.73205 4 0 0
M  V30 17 O -3.10862e-15 3 0 0
M  V30 18 C -3.05311e-15 1 0 0
M  V30 19 C 0.866025 1.5 0 0
M  V30 20 C 1.73205 1 0 0
M  V30 21 C 1.73205 2.22045e-15 0 0
M  V30 22 C 0.866025 -0.5 0 0
M  V30 23 C 0 0 0 0
M  V30 24 O 2.59808 -0.5 0 0
M  V30 25 O -3.4641 4 0 0
M  V30 26 C -6.06218 5.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 26
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 1 6 25
M  V30 10 1 7 15
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 8 12
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 1 13 18
M  V30 19 1 14 15
M  V30 20 1 14 17
M  V30 21 2 15 16
M  V30 22 1 18 23
M  V30 23 2 18 19
M  V30 24 1 19 20
M  V30 25 2 20 21
M  V30 26 1 21 22
M  V30 27 1 21 24
M  V30 28 2 22 23
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
甘草	Root of Ural Licorice	Radix Glycyrrhizae

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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