CAS号:520-11-6-泽兰黄酮 - Eupafolin-科华智慧

1. 主信息

英文名:	Eupafolin
中文名:	泽兰黄酮
CAS编号:	520-11-6
化学分子式：	C₁₆H₁₂O₇
化学分子量：	316.26 g/mol
SMILES：	COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
来源：	荔枝草
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one eupafolin nepetin

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%	360	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 35 37 0 0 0 0 0 0 0999 V2000 0.2658 0.6149 -0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 0.4020 -0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 -1.9161 0.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 2.8066 -0.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -3.0288 0.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 2.2867 0.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5845 0.3011 -0.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 -0.7022 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 0.5117 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0156 -0.5393 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1647 -0.7477 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9766 -1.9298 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.3156 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -1.7655 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 1.6904 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 0.4329 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2245 1.6493 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 0.8925 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -1.3111 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 1.1037 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 -1.1000 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 0.1074 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9102 0.5569 1.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 -2.6644 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 2.6389 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.6793 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -2.2563 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3579 -1.8825 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2405 -2.6606 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8743 2.5928 -0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6559 -0.2699 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9896 0.5451 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6421 1.5110 1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 2.2596 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0113 -0.4939 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 17 1 0 0 0 0 4 30 1 0 0 0 0 5 12 2 0 0 0 0 6 20 1 0 0 0 0 6 34 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

4.2 InChl

InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3

4.3 InChlKey

FHHSEFRSDKWJKJ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)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 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 -4 0 0
M  V30 2 O 5.19615 -3 0 0
M  V30 3 C 4.33013 -2.5 0 0
M  V30 4 C 3.4641 -3 0 0
M  V30 5 C 2.59808 -2.5 0 0
M  V30 6 C 2.59808 -1.5 0 0
M  V30 7 C 3.4641 -1 0 0
M  V30 8 C 4.33013 -1.5 0 0
M  V30 9 O 5.19615 -1 0 0
M  V30 10 O 1.73205 -1 0 0
M  V30 11 C 0.866025 -1.5 0 0
M  V30 12 C 0.866025 -2.5 0 0
M  V30 13 C 1.73205 -3 0 0
M  V30 14 O 1.73205 -4 0 0
M  V30 15 C 1.72828e-15 -1 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -1.73205 -1 0 0
M  V30 18 C -1.73205 -1.249e-15 0 0
M  V30 19 C -0.866025 0.5 0 0
M  V30 20 C 0 0 0 0
M  V30 21 O -2.59808 0.5 0 0
M  V30 22 O -2.59808 -1.5 0 0
M  V30 23 O 3.4641 -4 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 23
M  V30 7 1 5 13
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 6 10
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 15
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 1 15 20
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 17 22
M  V30 23 1 18 19
M  V30 24 1 18 21
M  V30 25 2 19 20
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
洪连	all-grass of Shorttube Lagotis	Herba Lagotidis
金沸草	All - grass of Japanese Inula	Herba Inulae
荔枝草	Common Sage	Salvia plebeia
迷迭香	Rosemary	Rosmarinus officinalis
木蝴蝶	Indian Trumpetflower Seed	Semen Oroxyli
蓬莱草	Knotteflower Phyla Herb	Lippia nodiflora
人参	Ginseng	Radix Ginseng
天山雪莲	Saussureae Involucratae Herba	-
楔叶泽兰	Cuneateleaf Eupatorium	Eupatorium cuneifolium
印度假荆芥	Indian Catnip	Nepeta hindostana

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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