CAS号:73692-50-9-柚皮苷查尔酮 - Naringenin chalcone-科华智慧

1. 主信息

英文名:	Naringenin chalcone
中文名:	柚皮苷查尔酮
CAS编号:	73692-50-9
化学分子式：	C₁₅H₁₂O₅
化学分子量：	272.25 g/mol
SMILES：	C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	2',4,4',6'-tetrahydroxychalcone chalconaringenin naringenin chalcone naringenin chalcone, (E)-isomer

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%	800	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 32 33 0 0 0 0 0 0 0999 V2000 -2.2732 -0.5044 2.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 1.2932 -2.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7656 -1.5570 -0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 2.2508 0.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 -1.3198 -0.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 0.4000 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -0.3713 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 0.5325 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 1.1045 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 0.3868 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 -1.0332 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9859 -0.1293 -1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5995 -0.9120 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 0.3821 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 0.9847 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 -0.9991 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 1.1990 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -1.5727 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 0.6254 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3028 -0.7604 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 -1.6436 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4403 -0.0356 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 -0.6201 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 2.0032 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -1.6717 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 2.2813 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 -2.6538 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0525 1.2633 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 0.0330 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 1.2560 -2.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 -1.3626 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4228 -2.2866 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 30 1 0 0 0 0 3 13 1 0 0 0 0 3 31 1 0 0 0 0 4 9 2 0 0 0 0 5 20 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 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

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4. 国际命名与标识

4.1 IUPAC Name

(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

4.2 InChl

InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+

4.3 InChlKey

YQHMWTPYORBCMF-ZZXKWVIFSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.59808 1.5 0 0
M  V30 2 C -3.4641 1 0 0
M  V30 3 C -4.33013 1.5 0 0
M  V30 4 C -4.33013 2.5 0 0
M  V30 5 C -3.4641 3 0 0
M  V30 6 C -2.59808 2.5 0 0
M  V30 7 C -1.73205 3 0 0
M  V30 8 C -0.866025 2.5 0 0
M  V30 9 C -0.866025 1.5 0 0
M  V30 10 O -1.73205 1 0 0
M  V30 11 C -2.05391e-15 1 0 0
M  V30 12 C 0.866025 1.5 0 0
M  V30 13 C 1.73205 1 0 0
M  V30 14 C 1.73205 3.33067e-15 0 0
M  V30 15 C 0.866025 -0.5 0 0
M  V30 16 C -0 -0 0 0
M  V30 17 O -0.866025 -0.5 0 0
M  V30 18 O 2.59808 -0.5 0 0
M  V30 19 O 0.866025 2.5 0 0
M  V30 20 O -5.19615 1 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 20
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 2 9 10
M  V30 12 1 9 11
M  V30 13 1 11 16
M  V30 14 2 11 12
M  V30 15 1 12 13
M  V30 16 1 12 19
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 18
M  V30 20 2 15 16
M  V30 21 1 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)

补充中

5.2 ¹H核磁共振谱(¹H NMR)

补充中

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
啤酒花	European Hop Female-flower	Humulus lupulus

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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