CAS号:491-80-5-鹰嘴豆芽素A - Biochanin A-科华智慧

1. 主信息

英文名:	Biochanin A
中文名:	鹰嘴豆芽素A
CAS编号:	491-80-5
化学分子式：	C₁₆H₁₂O₅
化学分子量：	284.26 g/mol
SMILES：	COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
来源：	葛麻姆苏木红车轴草香附子鹰嘴豆
结构类型：	异黄酮类/二氢异黄酮类
其它名称或标识：	biochanin A biochanin A, 14C-labeled genistein 4-methyl ether

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%	80	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 33 35 0 0 0 0 0 0 0999 V2000 -1.5524 2.0354 -0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6821 -2.6771 0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 -1.8226 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1973 0.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0871 0.6295 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 -0.3391 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 0.4943 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 0.9977 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 -0.6620 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 0.3127 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 -1.3558 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 1.7227 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8047 1.3257 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 0.2342 1.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5306 0.2192 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 -1.0253 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7634 0.3125 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 0.0629 1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 0.0477 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -0.0304 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6011 -0.2851 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 2.6355 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1151 2.3672 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 0.3044 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 0.2774 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1142 -1.8163 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 0.0027 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 -0.0173 -1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -2.7878 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6083 -0.1917 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5148 0.6415 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 -1.1637 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -0.4163 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 29 1 0 0 0 0 3 9 2 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3

4.3 InChlKey

WUADCCWRTIWANL-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 1 0 0
M  V30 2 O 4.33013 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 -2.22045e-16 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 -5.55112e-16 0 0
M  V30 7 C 1.73205 1 0 0
M  V30 8 C 2.59808 1.5 0 0
M  V30 9 C 0.866025 -0.5 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 O 8.88178e-16 -2 0 0
M  V30 12 C -0.866025 -1.5 0 0
M  V30 13 C -1.73205 -2 0 0
M  V30 14 C -2.59808 -1.5 0 0
M  V30 15 C -2.59808 -0.5 0 0
M  V30 16 C -1.73205 3.33067e-15 0 0
M  V30 17 C -0.866025 -0.5 0 0
M  V30 18 C -0 -0 0 0
M  V30 19 O -7.77156e-16 1 0 0
M  V30 20 O -1.73205 1 0 0
M  V30 21 O -3.4641 -2 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 9
M  V30 9 2 7 8
M  V30 10 1 9 18
M  V30 11 2 9 10
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 14 1 12 17
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 2 14 15
M  V30 18 1 14 21
M  V30 19 1 15 16
M  V30 20 2 16 17
M  V30 21 1 16 20
M  V30 22 1 17 18
M  V30 23 2 18 19
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
淡豆豉	Fermented Soybean	Semen Sojae Praeparata
蜂胶	Propolis	Apis mellifera ligustica
葛花	flower bud of lobed kudzuvine	flos puerariae lobatae
胡芦巴	Trigonellae Semen	-
鸡血藤	Suberect Spatholobus Stem	Caulis Millettiae; Caulis spatholobi
降香	Odoriferous Rosewood	Lignum Dalbergiae odoriferae Rosewood
铁苋菜	Copperleaf Herb	Herba Acalyphae

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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