CAS号:577-85-5-3-羟基黄酮 - 3-Hydroxyflavone-科华智慧

1. 主信息

英文名:	3-Hydroxyflavone
中文名:	3-羟基黄酮
CAS编号:	577-85-5
化学分子式：	C₁₅H₁₀O₃
化学分子量：	238.24 g/mol
SMILES：	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
来源：	-
结构类型：	-
其它名称或标识：	3-hydroxy-2-phenyl-4H-1-benzopyran-4-one 3-hydroxy-2-phenylchromone 3-hydroxyflavone flavonol

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	100mg	HPLC≥99%	400	点击购买	2-8℃	现货	-
科华智慧	1g	98%	104	点击购买	2-8℃	现货	-
科华智慧	5g	98%	312	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 28 30 0 0 0 0 0 0 0999 V2000 -0.2391 -1.0086 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 2.5120 -0.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 2.7024 -0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 0.3655 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 0.1383 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -0.8736 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -0.1471 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.3919 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 1.5866 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 0.4421 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -2.0464 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 -0.2756 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -0.2891 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3887 -0.7323 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0419 -0.5455 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -0.5591 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 -0.6873 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 1.3993 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 -3.0175 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -0.1681 2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.1923 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.6798 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 -2.8859 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -0.6454 2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5629 -0.6696 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 -0.8975 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 2.2485 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

3-hydroxy-2-phenylchromen-4-one

4.2 InChl

InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H

4.3 InChlKey

HVQAJTFOCKOKIN-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
白果叶	Ginkgo Leaf	Ginkgo biloba
白蔹	root of Japanese Ampelopsis	Radix Ampelopsis
白屈菜	Chelidonii Herba	-
茶树根	Tea Root	Camellia sinensis [Syn. Thea sinensis]
陈皮	Dried Tangerine Peel	Pericarpium Citri Reticulatae
钝裂银莲花	Obtuselobed Anemone	Anemone obtusiloba
多花水仙	Polyanthus Narcissus	Narcissus tazetta
沙棘	fruit of seabuckthorn	fructus hippophae
野菊	Indian Wild Chrysanthemum Equivalent plant: Chrysa	Chrysanthemum indicum
珍珠梅	Ural Falsespiraea Equivalent plant: Sorbaria arbor	Sorbaria sorbifolia

回顶

7. 相关靶点

基因靶点	靶点位置	参考文献
KRAS	12p12.1	24267912

回顶

8. 相关疾病

疾病名称	疾病类型	参考文献
Adenocarcinoma	group	24267912
adiposity	phenotype	28100511
Carcinoma, Ovarian Epithelial	disease	25332332
Lung Neoplasms	group	24267912
Myocardial Ischemia	disease	21801832
Neoplasms, Glandular and Epithelial	group	25332332
ovarian neoplasm	disease	25332332
Reperfusion Injury	disease	21801832

回顶