CAS号:38302-15-7-柚皮素三甲醚 - Naringenin trimethyl ether-科华智慧

1. 主信息

英文名:	Naringenin trimethyl ether
中文名:	柚皮素三甲醚
CAS编号:	38302-15-7
化学分子式：	C₁₈H₁₈O₅
化学分子量：	314.3 g/mol
SMILES：	COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
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	10mg	HPLC≥98%	2240	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 41 43 0 1 0 0 0 0 0999 V2000 -0.1090 0.7545 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 -1.8783 0.3104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5993 -2.9533 0.4694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 2.8511 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3679 0.5381 -0.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 -0.4218 -0.4002 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4090 -1.6414 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -0.6269 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -0.1654 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 -1.8490 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.6097 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 -0.6995 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 1.7802 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 -0.1642 -1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 0.0693 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 1.7100 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0427 0.4727 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4054 0.0723 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2758 0.3057 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 0.3071 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 -2.5501 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5616 2.7083 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9399 0.7707 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4952 -0.5858 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 -2.5370 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 -1.5196 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 2.7461 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 -0.3454 -2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 0.0838 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 0.3597 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9859 0.0724 -2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6943 0.4836 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 -2.0105 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 -2.6443 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6516 -3.5516 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 2.1470 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 2.2802 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9881 3.7143 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -0.1045 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0123 0.9347 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 1.6797 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 10 2 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 11 13 1 0 0 0 0 12 17 2 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3

4.3 InChlKey

MQFSCAHSIUPLSB-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.9282 3 0 0
M  V30 2 O 6.06218 3.5 0 0
M  V30 3 C 5.19615 3 0 0
M  V30 4 C 5.19615 2 0 0
M  V30 5 C 4.33013 1.5 0 0
M  V30 6 C 3.4641 2 0 0
M  V30 7 C 3.4641 3 0 0
M  V30 8 C 4.33013 3.5 0 0
M  V30 9 C 2.59808 1.5 0 0
M  V30 10 C 2.59808 0.5 0 0
M  V30 11 C 1.73205 2.22045e-15 0 0
M  V30 12 O 1.73205 -1 0 0
M  V30 13 C 0.866025 0.5 0 0
M  V30 14 C 0.866025 1.5 0 0
M  V30 15 O 1.73205 2 0 0
M  V30 16 C -8.88178e-16 2 0 0
M  V30 17 C -0.866025 1.5 0 0
M  V30 18 C -0.866025 0.5 0 0
M  V30 19 C -0 -0 0 0
M  V30 20 O -6.10623e-16 -1 0 0
M  V30 21 C -0.866025 -1.5 0 0
M  V30 22 O -1.73205 2 0 0
M  V30 23 C -2.59808 1.5 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 15
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 1 13 19
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 1 14 16
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 1 17 22
M  V30 22 2 18 19
M  V30 23 1 19 20
M  V30 24 1 20 21
M  V30 25 1 22 23
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
长叶哥纳香	Longleaf Goniothalamus	Goniothalamus gardneri

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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