CAS号:41743-56-0-羽扇豆异黄酮

1. 主信息

英文名:	Luteone
中文名:	羽扇豆异黄酮
CAS编号:	41743-56-0
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)C3=C(C=C(C=C3)O)O)O)C
来源：	-
结构类型：	-
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%	5600	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 -0.4683 2.5504 -0.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.3289 0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 2.6786 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -1.3144 0.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.7607 2.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9868 -1.6801 -0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 0.5765 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 0.6616 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -0.0440 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 1.8927 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3051 0.0091 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.1485 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 1.9785 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 0.6089 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 2.5958 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 0.0167 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 1.8716 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -0.7021 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -2.0137 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 0.1131 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 -0.6537 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2712 -0.4563 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 -1.2234 -1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7441 -1.1247 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0048 -2.6591 -1.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.9653 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 0.7474 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1067 -0.6281 1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 3.6218 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 2.5179 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -0.0614 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0598 -0.7411 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 -1.7020 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8966 -0.3803 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3067 -1.7428 -2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.0778 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 -1.9252 -2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9263 -3.1439 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3634 -3.4120 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2608 -2.5667 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3901 -3.8271 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 -3.3372 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2522 0.7243 2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3997 -1.5169 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 33 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 4 12 2 0 0 0 0 5 20 1 0 0 0 0 5 43 1 0 0 0 0 6 24 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 10 15 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one

4.2 InChl

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

4.3 InChlKey

MMPVAPMCVABQPS-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)O)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 7.79423 -1.5 0 0
M  V30 2 C 6.9282 -2 0 0
M  V30 3 C 6.06218 -1.5 0 0
M  V30 4 C 6.06218 -0.5 0 0
M  V30 5 C 5.19615 -8.88178e-15 0 0
M  V30 6 C 4.33013 -0.5 0 0
M  V30 7 C 3.4641 -5.32907e-15 0 0
M  V30 8 C 3.4641 1 0 0
M  V30 9 C 4.33013 1.5 0 0
M  V30 10 C 5.19615 1 0 0
M  V30 11 O 6.06218 1.5 0 0
M  V30 12 O 2.59808 1.5 0 0
M  V30 13 C 1.73205 1 0 0
M  V30 14 C 1.73205 -2.77556e-15 0 0
M  V30 15 C 2.59808 -0.5 0 0
M  V30 16 O 2.59808 -1.5 0 0
M  V30 17 C 0.866025 -0.5 0 0
M  V30 18 C 0.866025 -1.5 0 0
M  V30 19 C -1.66533e-15 -2 0 0
M  V30 20 C -0.866025 -1.5 0 0
M  V30 21 C -0.866025 -0.5 0 0
M  V30 22 C 0 -0 0 0
M  V30 23 O -1.73205 -2 0 0
M  V30 24 O 1.73205 -2 0 0
M  V30 25 O 4.33013 -1.5 0 0
M  V30 26 C 6.9282 -3 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 14 15
M  V30 19 1 14 17
M  V30 20 2 15 16
M  V30 21 1 17 22
M  V30 22 2 17 18
M  V30 23 1 18 19
M  V30 24 1 18 24
M  V30 25 2 19 20
M  V30 26 1 20 21
M  V30 27 1 20 23
M  V30 28 2 21 22
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
白羽扇豆	White Lupin	Lupinus albus
荠菜	all-grass of Shepherdspurse	Herba Capsellae
鹿衔草	all-grass Chinese pyrola	herba pyrolae chinensis

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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