CAS号:22368-21-4-异泽兰黄素 - Eupatilin-科华智慧

1. 主信息

英文名:	Eupatilin
中文名:	异泽兰黄素
CAS编号:	22368-21-4
化学分子式：	C₁₈H₁₆O₇
化学分子量：	344.3 g/mol
SMILES：	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC
来源：	艾
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	5,7-dihydroxy-3',4',6-trimethoxyflavone eupatilin

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%	196	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 0 0 0 0 0 0999 V2000 -0.2102 0.4988 -0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7333 0.5350 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 -1.8492 0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 1.9419 0.7562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3032 2.8823 -0.4248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 -3.0695 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 -0.0995 -0.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 -0.7279 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 0.4573 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 -0.6907 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 -0.5326 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 -0.7104 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -1.9927 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -1.8945 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 1.6702 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 0.5043 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 1.6921 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 0.6417 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -1.5567 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 0.7907 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -0.2339 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -1.4076 -0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3594 0.6974 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 2.9980 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 -0.5444 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.8212 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 2.5965 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 1.4490 0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -2.4769 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 -2.2073 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -2.6223 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2608 2.7119 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -0.1516 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4412 0.7372 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0401 1.6302 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 3.3218 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3337 2.6802 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 3.8421 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 -1.6169 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 0.0134 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8876 -0.3643 0.6823 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 12 1 0 0 0 0 3 31 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 13 2 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 22 2 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 30 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

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

4.2 InChl

InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3

4.3 InChlKey

DRRWBCNQOKKKOL-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
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 -8.88178e-16 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 2.22045e-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 -8.88178e-16 -1 0 0
M  V30 21 O -1.73205 -1.66533e-15 0 0
M  V30 22 C -1.73205 -1 0 0
M  V30 23 O -1.73205 2 0 0
M  V30 24 O 6.06218 1.5 0 0
M  V30 25 C 6.06218 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 24
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 15
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 19
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 16
M  V30 20 2 16 17
M  V30 21 1 17 18
M  V30 22 1 17 23
M  V30 23 2 18 19
M  V30 24 1 18 21
M  V30 25 1 19 20
M  V30 26 1 21 22
M  V30 27 1 24 25
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
艾叶	leaf of Argy Wormwood	Folium Artemisiae Argyi
红足蒿	Redfoot Wormwood	Artemisia rubripes
荆芥穗	Schizonepetae Spica	-
菊花	Chrysanthemum Flower	Flos Chrysanthemi
橘皮	Tangerine Pericarp	Citrus reticulata
麻黄	Ephedra	Herba Ephedrae
肉毛向日葵	Pubescent Sunflower	Helianthus mollis
石韦	Pyrrosiae Folium	-
野菊	Indian Wild Chrysanthemum Equivalent plant: Chrysa	Chrysanthemum indicum
野菊花	Wild Chrysanthemum Flower	Flos Chrysanthemi Indici

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7. 相关靶点

基因靶点	靶点位置	参考文献
CEP290	12q21.32	30035750
IQCB1	3q13.33\|3q21.1	30035750
LTBP1	2p22.3	30611717
SMAD3	15q22.33	30611717
TGFB1	19q13.2	30611717

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8. 相关疾病

疾病名称	疾病类型	参考文献
Blindness	phenotype	30035750
Ciliopathies	disease	30035750
Idiopathic Pulmonary Fibrosis	disease	30611717

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