CAS号:520-36-5-芹菜素 - Apigenin-科华智慧

1. 主信息

英文名:	Apigenin
中文名:	芹菜素
CAS编号:	520-36-5
化学分子式：	C₁₅H₁₀O₅
化学分子量：	270.24 g/mol
SMILES：	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
来源：	莲石榴合欢益母草紫苏
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	Apigenin

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	1g	≥98%	160	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%	480	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%	1440	点击购买	2-8℃	现货	-
科华智慧	100g	≥98%	4480	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 30 32 0 0 0 0 0 0 0999 V2000 -0.0681 0.7800 -0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1237 -1.8702 0.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 -2.9343 0.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 2.8645 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2534 0.6490 -0.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 -0.6003 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 0.6394 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -0.3621 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1664 -0.0973 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 -1.8145 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 -1.6099 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4593 -0.6835 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 1.8062 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 1.7275 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 0.4853 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -1.0335 -0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 1.0909 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4151 -0.7831 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 1.3414 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9148 0.4043 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 -2.5001 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 2.7750 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 0.4227 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 -1.9600 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 1.8350 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0842 -1.5187 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4259 2.2675 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 -2.6081 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2737 2.6256 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -0.1037 -0.4576 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 12 1 0 0 0 0 2 28 1 0 0 0 0 3 10 2 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 20 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 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

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

4.3 InChlKey

KZNIFHPLKGYRTM-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C2=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 20 22 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 2.66454e-15 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 1.9984e-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 3.44169e-15 -2 0 0
M  V30 10 O 5.10703e-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 -2.77556e-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 -6.21725e-15 0 0
M  V30 19 O -1.73205 -3 0 0
M  V30 20 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 20
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 17
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 2 9 10
M  V30 13 1 9 11
M  V30 14 1 11 16
M  V30 15 2 11 12
M  V30 16 1 12 13
M  V30 17 1 12 19
M  V30 18 2 13 14
M  V30 19 1 14 15
M  V30 20 1 14 18
M  V30 21 2 15 16
M  V30 22 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
白果叶	Ginkgo Leaf	Ginkgo biloba
败酱草	All - grass of Dahurian Patrinia	Herba Patriniae
百里香	Breckland Thyme	Thymus serpyllum
半边莲	Chinese Lobelia Herb	Herba Lobeliae Chinensis
板蓝根	Root of Dyers Woad.	Radix Isatidis seu Baphicacanthi
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
北刘寄奴	Siphonostegiae Herba	-
北野菊	Boreal Wild Chrysanthemum	Chrysanthemum boreale
扁豆花	flower of Hyacinth Dolichos	Flos Dolichoris

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7. 相关靶点

基因靶点	靶点位置	参考文献
AKT1	14q32.33	21871133
BCL2	18q21.33	21871133
BCL2L1	20q11.21	21871133
CAT	11p13	29179721
CD274	9p24.1	27378243
CDC37	19p13.2	21871133
CDK4	12q14.1	21871133
COLQ	3p25.1	28056971
CSNK2A2	16q21	21871133
CXCL10	4q21.1	28378188

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8. 相关疾病

疾病名称	疾病类型	参考文献
Adenocarcinoma	group	21550230
Blood Pressure	phenotype	28143892
Epstein-Barr Virus Infections	group	28056971
Fibrosis	phenotype	28143892
Inflammation	phenotype	27374313
Lung Neoplasms	group	21550230
Multiple Myeloma	disease	21871133
Neoplasm Metastasis	phenotype	31182131
Obesity	disease	27374313
Obesity	disease	31877350

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