CAS号:632-85-9-汉黄芩素 - Wogonin-科华智慧

1. 主信息

英文名:	Wogonin
中文名:	汉黄芩素
CAS编号:	632-85-9
化学分子式：	C₁₆H₁₂O₅
化学分子量：	284.26 g/mol
SMILES：	COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
来源：	白鲜益母草黄芩鸡骨香绵萆薢
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	5,7-dihydroxy-8-methoxyflavone wogonin

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%	120	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	720	点击购买	2-8℃	现货	-
科华智慧	500mg	HPLC≥98%	2560	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 33 35 0 0 0 0 0 0 0999 V2000 0.3197 -0.5191 0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 -2.5989 0.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4694 2.4892 -0.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1315 -2.1751 0.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9831 3.3180 -0.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.0368 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -0.2512 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 0.5385 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 -1.3358 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 2.1622 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 1.2506 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8343 1.8215 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 0.1397 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 -1.1265 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 0.1639 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5898 1.0163 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -1.1163 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 0.6395 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 -1.4933 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 -0.6154 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 -3.3448 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 2.6449 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8586 0.3292 0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.9933 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -1.8174 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 1.3207 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -2.4697 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3615 -0.9092 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 3.1613 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0449 -1.8419 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -4.3254 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 -3.4886 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 -2.8407 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 30 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 11 15 2 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 17 19 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 20 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one

4.2 InChl

InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3

4.3 InChlKey

XLTFNNCXVBYBSX-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)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 4.33013 0.5 0 0
M  V30 2 O 3.4641 2.88658e-15 0 0
M  V30 3 C 3.4641 -1 0 0
M  V30 4 C 4.33013 -1.5 0 0
M  V30 5 C 4.33013 -2.5 0 0
M  V30 6 C 3.4641 -3 0 0
M  V30 7 C 2.59808 -2.5 0 0
M  V30 8 C 2.59808 -1.5 0 0
M  V30 9 O 1.73205 -1 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 0.866025 -2.5 0 0
M  V30 12 C 1.73205 -3 0 0
M  V30 13 O 1.73205 -4 0 0
M  V30 14 C 7.21645e-16 -1 0 0
M  V30 15 C -0.866025 -1.5 0 0
M  V30 16 C -1.73205 -1 0 0
M  V30 17 C -1.73205 -4.44089e-16 0 0
M  V30 18 C -0.866025 0.5 0 0
M  V30 19 C 0 -0 0 0
M  V30 20 O 3.4641 -4 0 0
M  V30 21 O 5.19615 -1 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 21
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 20
M  V30 10 1 7 12
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 2 10 11
M  V30 15 1 10 14
M  V30 16 1 11 12
M  V30 17 2 12 13
M  V30 18 1 14 19
M  V30 19 2 14 15
M  V30 20 1 15 16
M  V30 21 2 16 17
M  V30 22 1 17 18
M  V30 23 2 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
百合	Bulb of Greenish Lily	Bulbus Lilii
白鲜皮	Dictamni Cortex	-
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
苍术	Rhizome of Swordlike Atractylodes	Rhizoma Atractylodis
沉香	Oily wood of Agalloch Eaglewood	Lignum Aquilariae Resitum
川黄芩	St Johnswortleaf Skullcap	Scutellaria hypericifolia
穿心莲	all-grass of Common Androgrphis	Herba andrographitis
滇黄芩	Yunnan Skullcap	Scutellaria amoena
防风	root of Divaricate Saposhnikovia	Radix Saposhnikoviae divaricatae
甘肃黄芩	Rehder Skullcap	Scutellaria rehderiana

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7. 相关靶点

基因靶点	靶点位置	参考文献
ADAMTS4	1q23.3	28237856
ADIPOQ	3q27.3	23623334
BAX	19q13.33	23955116
BCL2	18q21.33	23955116
CASP3	4q35.1	23195034
CASP3	4q35.1	23955116
CASP3	4q35.1	25629436
CASP9	1p36.21	23195034
CASP9	1p36.21	23955116
CHUK	10q24.31	24901054

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8. 相关疾病

疾病名称	疾病类型	参考文献
Body Weight	phenotype	23623334
Colorectal Neoplasms	group	24901054
Dyslipidemias	group	23623334
Hyperglycemia	disease	23623334
Hypersensitivity	group	25629436
Inflammation	phenotype	28237856
Inflammation	phenotype	25629436
leukemia	disease	29326123
Neoplasms	group	30031170
Uterine Cervical Neoplasm	disease	23955116

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