CAS号:491-70-3-木犀草素 - Luteolin-科华智慧

1. 主信息

英文名:	Luteolin
中文名:	木犀草素
CAS编号:	491-70-3
化学分子式：	C₁₅H₁₀O₆
化学分子量：	286.24 g/mol
SMILES：	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
来源：	女贞半边莲合欢艾纳香紫苏
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	3',4',5,7-Tetrahydroxy-Flavone 3',4',5,7-Tetrahydroxyflavone Luteolin Luteoline

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%	60	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	400	点击购买	2-8℃	现货	-
科华智慧	200mg	HPLC≥98%	720	点击购买	2-8℃	现货	-
科华智慧	1g	96%(HPLC)	384	点击购买	2-8℃	现货	-
科华智慧	5g	96%(HPLC)	784	点击购买	2-8℃	现货	-
科华智慧	10g	96%(HPLC)	1200	点击购买	2-8℃	现货	-
科华智慧	25g	96%(HPLC)	1920	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 31 33 0 0 0 0 0 0 0999 V2000 -0.2476 0.6707 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 -1.7292 0.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 -2.9245 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 2.9868 -0.3183 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4517 2.1826 0.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 0.1621 -0.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 -0.5858 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 0.6095 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 -0.5085 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 -0.3294 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -1.8398 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 -1.7204 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7139 -0.5884 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 1.8125 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 0.8539 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 1.8143 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 0.6165 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 -1.3423 -0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 1.0230 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 -1.1731 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 0.0095 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 -2.6391 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 2.7469 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.6535 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4935 0.6166 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -2.2689 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 -1.9687 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -2.4983 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 2.8036 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 2.1272 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4514 -0.6393 -0.6089 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 28 1 0 0 0 0 3 11 2 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 27 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-dihydroxychromen-4-one

4.2 InChl

InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H

4.3 InChlKey

IQPNAANSBPBGFQ-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)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 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.73205 -1 0 0
M  V30 2 C -2.59808 -1.5 0 0
M  V30 3 C -3.4641 -1 0 0
M  V30 4 C -3.4641 -3.10862e-15 0 0
M  V30 5 C -2.59808 0.5 0 0
M  V30 6 C -1.73205 -2.22045e-15 0 0
M  V30 7 C -0.866025 0.5 0 0
M  V30 8 C -0.866025 1.5 0 0
M  V30 9 C -3.77476e-15 2 0 0
M  V30 10 O -5.77316e-15 3 0 0
M  V30 11 C 0.866025 1.5 0 0
M  V30 12 C 1.73205 2 0 0
M  V30 13 C 2.59808 1.5 0 0
M  V30 14 C 2.59808 0.5 0 0
M  V30 15 C 1.73205 3.44169e-15 0 0
M  V30 16 C 0.866025 0.5 0 0
M  V30 17 O -0 -0 0 0
M  V30 18 O 3.4641 7.54952e-15 0 0
M  V30 19 O 1.73205 3 0 0
M  V30 20 O -4.33013 0.5 0 0
M  V30 21 O -4.33013 -1.5 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 21
M  V30 6 1 4 5
M  V30 7 1 4 20
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 7 17
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 2 9 10
M  V30 14 1 9 11
M  V30 15 1 11 16
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 1 12 19
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 1 14 18
M  V30 22 2 15 16
M  V30 23 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)

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
八角茴香	Chinese Star Anise	Fructus Anisi Stellati
白花菜子	Semen Cleomis	-
败酱草	All - grass of Dahurian Patrinia	Herba Patriniae
白菊花根	Chrysanthemum morifoliumRamat	-
白毛夏枯草	all - grass of Decumbent Bugle	Herha Ajugae Ciliatae
白木香	Chinese Eaglewood	Aquilaria sinensis
白鲜皮	Dictamni Cortex	-
半边莲	Chinese Lobelia Herb	Herba Lobeliae Chinensis
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae

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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