CAS号:480-40-0-白杨素 - Chrysin-科华智慧

1. 主信息

英文名:	Chrysin
中文名:	白杨素
CAS编号:	480-40-0
化学分子式：	C₁₅H₁₀O₄
化学分子量：	254.24 g/mol
SMILES：	C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
来源：	山杨南烛一年蓬硬尖神香草台湾林檎
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	5,7-dihydroxy-flavone 5,7-dihydroxyflavone chrysin chrysine

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%	80	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 29 31 0 0 0 0 0 0 0999 V2000 0.2347 -0.8220 0.0512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 1.9557 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 2.9429 -0.1858 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0926 -2.7696 0.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 0.6210 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -0.6381 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 0.2944 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8525 1.8082 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -0.0164 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 0.7486 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 1.5571 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -1.7800 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 -1.6570 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9032 -0.3954 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 0.8918 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -1.2202 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 0.5981 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -1.5141 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 -0.6049 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 2.4272 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 -2.7639 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 -0.2982 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 1.8293 0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2844 -1.9432 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 1.3035 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6871 -2.4498 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -0.8339 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 2.6733 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0272 -2.5008 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 3 8 2 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 11 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 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 19 1 0 0 0 0 18 26 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-phenylchromen-4-one

4.2 InChl

InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

4.3 InChlKey

RTIXKCRFFJGDFG-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)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 19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.4641 1 0 0
M  V30 2 C 3.4641 -4.44089e-16 0 0
M  V30 3 C 2.59808 -0.5 0 0
M  V30 4 C 1.73205 -3.33067e-16 0 0
M  V30 5 C 1.73205 1 0 0
M  V30 6 C 2.59808 1.5 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 6.66134e-16 -2 0 0
M  V30 10 O 1.11022e-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 -5.55112e-16 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 -1.55431e-15 0 0
M  V30 19 O -1.73205 -3 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 4 5
M  V30 6 1 4 7
M  V30 7 2 5 6
M  V30 8 1 7 17
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 2 9 10
M  V30 12 1 9 11
M  V30 13 1 11 16
M  V30 14 2 11 12
M  V30 15 1 12 13
M  V30 16 1 12 19
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 18
M  V30 20 2 15 16
M  V30 21 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
刺果松	Bristlecone Pine	Pinus aristata
滇黄芩	Yunnan Skullcap	Scutellaria amoena
蜂胶	Propolis	Apis mellifera ligustica
凤尾茶	-	Elsholtzia bodinieri
凤尾蕨	Nervous Brake	Pteris cretica var. nervosa [Syn. Pteris nervosa ]
高良姜	Alpiniae Officirum Rhizome	-
关黄柏	Phellodendri Amurensis Cortex	-
鬼箭羽	twig of Winged Euonymus	Ramulus Euonymi
黄苓	-	-
黄芩	root of Baikal skullcap	Radix Scutellariae

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7. 相关靶点

基因靶点	靶点位置	参考文献
AHR	7p21.1	26515162
BAX	19q13.33	28320429
GCLC	6p12.1	22864849
GCLM	1p22.1	22864849
HK2	2p12	28320429
HMOX1	22q12.3	22864849
IFNG	12q15	26996065
IL17A	6p12.2	26996065
IL1B	2q14.1	26996065
IL6	7p15.3	26996065

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8. 相关疾病

疾病名称	疾病类型	参考文献
Autoimmune Diseases	group	26996065
Colorectal Neoplasms	group	26515162
Inflammation	phenotype	30738841
Liver neoplasms	group	28320429
Uveitis	disease	26996065

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