CAS号:91433-17-9-甘草黄酮 B - licoflavone B-科华智慧

1. 主信息

英文名:	licoflavone B
中文名:	甘草黄酮 B
CAS编号:	91433-17-9
化学分子式：	C₂₅H₂₆O₄
化学分子量：	390.5 g/mol
SMILES：	CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C
来源：	甘草
结构类型：	-
其它名称或标识：	licoflavone B

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%	1152	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 55 57 0 0 0 0 0 0 0999 V2000 0.2045 -0.3948 -0.8016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 1.7765 -2.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0469 -2.7817 1.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 -1.5309 -0.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9913 -1.0600 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 0.0578 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 -0.2768 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -1.3294 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 -1.3771 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 -0.8969 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4128 0.2256 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -0.2679 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 0.8427 -1.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 0.6765 -1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 -2.0589 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 -0.2223 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 -2.1452 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 0.9779 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9344 -2.5779 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0467 -1.4686 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9179 1.2421 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 -2.6236 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 1.7728 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7628 1.0472 1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 3.0259 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2262 2.1103 2.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3346 -0.3196 1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 3.7604 2.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 3.8159 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 -1.5056 0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7494 0.5162 -1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8814 -0.7550 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.2887 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 0.7229 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -2.8663 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0559 0.7255 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 1.5628 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 -3.5039 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 2.2560 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -3.5667 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 1.2552 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5142 2.0420 -2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8085 3.0899 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3173 2.1955 2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 1.8700 3.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 -1.1378 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5104 -0.4525 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2948 -0.4353 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 3.1570 2.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 4.6853 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 4.0117 2.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5795 3.2003 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5788 4.4618 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 4.4571 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -2.4410 -0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 13 1 0 0 0 0 2 42 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 55 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 16 2 0 0 0 0 9 19 1 0 0 0 0 10 30 1 0 0 0 0 11 21 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 13 14 2 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one

4.2 InChl

InChI=1S/C25H26O4/c1-15(2)5-7-17-11-19(9-10-21(17)26)24-14-23(28)20-12-18(8-6-16(3)4)22(27)13-25(20)29-24/h5-6,9-14,26-27H,7-8H2,1-4H3

4.3 InChlKey

GLDVIKFETPAZNV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.33013 5.5 0 0
M  V30 2 C -4.33013 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 C -2.64169e-15 1 0 0
M  V30 18 C 0.866025 1.5 0 0
M  V30 19 C 1.73205 1 0 0
M  V30 20 C 1.73205 4.38538e-15 0 0
M  V30 21 C 0.866025 -0.5 0 0
M  V30 22 C 0 -0 0 0
M  V30 23 O 2.59808 -0.5 0 0
M  V30 24 C 2.59808 1.5 0 0
M  V30 25 C 3.4641 1 0 0
M  V30 26 C 4.33013 1.5 0 0
M  V30 27 C 5.19615 1 0 0
M  V30 28 C 4.33013 2.5 0 0
M  V30 29 C -3.4641 4 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 29
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 7 15
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 1 8 12
M  V30 13 2 9 10
M  V30 14 1 10 11
M  V30 15 1 12 13
M  V30 16 2 13 14
M  V30 17 1 13 17
M  V30 18 1 14 15
M  V30 19 2 15 16
M  V30 20 1 17 22
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 19 24
M  V30 25 1 20 21
M  V30 26 1 20 23
M  V30 27 2 21 22
M  V30 28 1 24 25
M  V30 29 2 25 26
M  V30 30 1 26 27
M  V30 31 1 26 28
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
粗毛甘草	Hirsute Licorice	Glycyrrhiza aspera

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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