CAS号:58124-18-8-2-羟基柚皮素 - 2-Hydroxynaringenin-科华智慧

1. 主信息

英文名:	2-Hydroxynaringenin
中文名:	2-羟基柚皮素
CAS编号:	58124-18-8
化学分子式：	C₁₅H₁₂O₆
化学分子量：	288.25 g/mol
SMILES：	C1C(=O)C2=C(C=C(C=C2OC1(C3=CC=C(C=C3)O)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	2-hydroxynaringenin

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 33 35 0 1 0 0 0 0 0999 V2000 -0.0904 0.8382 -0.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 -0.6047 1.7858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7384 -2.8809 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1184 -1.8561 -0.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 2.8566 0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 0.6726 -0.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 -0.3208 0.3980 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2537 -1.5465 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -0.0518 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -0.5726 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 -1.7730 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 0.6678 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 -0.6691 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 0.7904 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 -0.6507 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2239 1.8227 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 1.7305 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 0.4863 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9222 1.0337 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 -0.4074 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 0.4348 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7488 -2.4477 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 -1.4218 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 1.2590 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 -1.3246 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 2.7912 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -0.0124 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3195 0.4195 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 1.6886 -1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -0.8829 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4887 -2.5929 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 3.6262 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 0.1789 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 27 1 0 0 0 0 3 11 2 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 21 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 20 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2,5,7-trihydroxy-2-(4-hydroxyphenyl)-3H-chromen-4-one

4.2 InChl

InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)15(20)7-12(19)14-11(18)5-10(17)6-13(14)21-15/h1-6,16-18,20H,7H2

4.3 InChlKey

NFENYLPEYDNIMO-UHFFFAOYSA-N

4.4 Canonical SMILES

C1C(=O)C2=C(C=C(C=C2OC1(C3=CC=C(C=C3)O)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 1
M  V30 BEGIN ATOM
M  V30 1 C -1.5 -0.133975 0 0
M  V30 2 C -2.36603 -0.633975 0 0
M  V30 3 O -2.36603 -1.63397 0 0
M  V30 4 C -3.23205 -0.133975 0 0
M  V30 5 C -4.09808 -0.633975 0 0
M  V30 6 C -4.9641 -0.133975 0 0
M  V30 7 C -4.9641 0.866025 0 0
M  V30 8 C -4.09808 1.36603 0 0
M  V30 9 C -3.23205 0.866025 0 0
M  V30 10 O -2.36603 1.36603 0 0
M  V30 11 C -1.5 0.866025 0 0
M  V30 12 C -0.5 0.866025 0 0
M  V30 13 C 3.33067e-16 1.73205 0 0
M  V30 14 C 1 1.73205 0 0
M  V30 15 C 1.5 0.866025 0 0
M  V30 16 C 1 -5.55112e-17 0 0
M  V30 17 C -0 -0 0 0
M  V30 18 O 2.5 0.866025 0 0
M  V30 19 O -1 1.73205 0 0
M  V30 20 O -5.83013 1.36603 0 0
M  V30 21 O -4.09808 -1.63397 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 11
M  V30 2 1 1 2
M  V30 3 2 2 3
M  V30 4 1 2 4
M  V30 5 1 4 9
M  V30 6 2 4 5
M  V30 7 1 5 6
M  V30 8 1 5 21
M  V30 9 2 6 7
M  V30 10 1 7 8
M  V30 11 1 7 20
M  V30 12 2 8 9
M  V30 13 1 9 10
M  V30 14 1 10 11
M  V30 15 1 11 12
M  V30 16 1 11 19
M  V30 17 1 12 17
M  V30 18 2 12 13
M  V30 19 1 13 14
M  V30 20 2 14 15
M  V30 21 1 15 16
M  V30 22 1 15 18
M  V30 23 2 16 17
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

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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