CAS号:520-34-3-香叶木素 - Diosmetin-科华智慧

1. 主信息

英文名:	Diosmetin
中文名:	香叶木素
CAS编号:	520-34-3
化学分子式：	C₁₆H₁₂O₆
化学分子量：	300.26 g/mol
SMILES：	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
来源：	蓟半边莲宽叶羌活艾纳香栝楼
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	diosmetin

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	-
科华智慧	1g	≥98%	192	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%	544	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%	1440	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 34 36 0 0 0 0 0 0 0999 V2000 -0.5318 0.6494 -0.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7848 -1.6685 0.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 0.0110 0.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 -2.9141 0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 3.0552 -0.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1637 2.0440 1.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -0.5668 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 -0.5470 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 0.6163 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -0.3975 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 -1.8387 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 -1.7495 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 -0.5406 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 1.8359 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 0.7641 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 -1.4171 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9633 1.8665 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6914 0.6808 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6035 0.9053 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -0.1147 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 -1.2760 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 0.6020 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -2.6819 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 2.7608 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6093 1.5682 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -2.3273 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7786 0.7034 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -2.0727 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -2.4511 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5741 2.8914 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 1.9577 1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9556 1.6109 -1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1606 -0.0197 -2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4276 0.6680 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 19 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 21 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 28 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3

4.3 InChlKey

MBNGWHIJMBWFHU-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)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 22 24 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 C 6.66134e-16 -2 0 0
M  V30 12 O 1.9984e-15 -3 0 0
M  V30 13 C -0.866025 -1.5 0 0
M  V30 14 C -1.73205 -2 0 0
M  V30 15 C -2.59808 -1.5 0 0
M  V30 16 C -2.59808 -0.5 0 0
M  V30 17 C -1.73205 1.77636e-15 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 O -0 -0 0 0
M  V30 20 O -3.4641 6.66134e-15 0 0
M  V30 21 O -1.73205 -3 0 0
M  V30 22 O 4.33013 -0.5 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 1 4 22
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 9
M  V30 10 2 7 8
M  V30 11 1 9 19
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 13 18
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 21
M  V30 20 2 15 16
M  V30 21 1 16 17
M  V30 22 1 16 20
M  V30 23 2 17 18
M  V30 24 1 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
白刺花	Vetchleaf Sophora	Sophora viciifolia
半边莲	Chinese Lobelia Herb	Herba Lobeliae Chinensis
薄荷	Mentha, Peppermint	herba Menthae
大蓟	all-grass of Thistle	Herba Cirsii Japonici;Radix Cirsii Japonici;Herba
佛手	Finger Citron	Fructus Citri sarcodactylis
瓜蒌	Trichosanthes Kirilowii Maxim	-
海金沙	spore of Japanese climbing Fern	Spora Lygodii
花椒	Pricklyash Peel	Pericarpium Zanthoxyli
荠菜	all-grass of Shepherdspurse	Herba Capsellae
荆芥	all-grass of Fineleaf Schizonepeta	Herba Schizonepetae

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7. 相关靶点

基因靶点	靶点位置	参考文献
AKT1	14q32.33	30825187
GABPA	21q21.3	30825187
GSK3B	3q13.33	30825187
NFE2L2	2q31.2	30825187
PIK3CA	3q26.32	30825187
PIK3CB	3q22.3	30825187
PIK3CD	1p36.22	30825187
PIK3CG	7q22.3	30825187
PIK3R1	5q13.1	30825187

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8. 相关疾病

疾病名称

疾病类型

参考文献

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