CAS号:68745-38-0-(±)-松属素 - 5,7-Dihydroxyflavanone-科华智慧

1. 主信息

英文名:	5,7-Dihydroxyflavanone
中文名:	(±)-松属素
CAS编号:	68745-38-0
化学分子式：	C₁₅H₁₂O₄
化学分子量：	256.25 g/mol
SMILES：	C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
来源：	-
结构类型：	-
其它名称或标识：	(+)-pinocoembrin 5,7-dihydroxy-flavanone 5,7-dihydroxyflavanone pinocembrin pinocembrine

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	5mg	HPLC≥98%	1440	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 1 0 0 0 0 0999 V2000 -0.2535 -0.8391 -0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 2.9414 -0.2755 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 1.9493 0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 -2.7807 0.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 0.2939 0.3492 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6223 1.5561 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 0.6192 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 -0.0151 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.8154 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 -0.6435 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 0.7434 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.7871 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4075 0.5116 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 -0.8267 -0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -0.4029 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 -1.6653 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7649 0.2267 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2694 -1.1116 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1957 -0.5850 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7979 0.4145 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 2.4199 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 1.4506 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -2.7726 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 1.1468 1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -1.2387 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 -0.3167 0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4863 0.6373 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 -1.7409 -1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 -0.8060 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 1.8129 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 -2.5130 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 3 30 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 10 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 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-phenyl-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2

4.3 InChlKey

URFCJEUYXNAHFI-UHFFFAOYSA-N

4.4 Canonical SMILES

C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3

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 1
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 2.5 0 0
M  V30 2 C -0.866025 1.5 0 0
M  V30 3 O -1.73205 1 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -3.4641 1 0 0
M  V30 6 C -4.33013 1.5 0 0
M  V30 7 C -4.33013 2.5 0 0
M  V30 8 C -3.4641 3 0 0
M  V30 9 C -2.59808 2.5 0 0
M  V30 10 C -1.73205 3 0 0
M  V30 11 O -1.73205 4 0 0
M  V30 12 O -3.4641 4 0 0
M  V30 13 O -5.19615 1 0 0
M  V30 14 C 5.55112e-17 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 -3.33067e-16 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 C 0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 10
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 14
M  V30 5 1 3 4
M  V30 6 1 4 9
M  V30 7 2 4 5
M  V30 8 1 5 6
M  V30 9 2 6 7
M  V30 10 1 6 13
M  V30 11 1 7 8
M  V30 12 2 8 9
M  V30 13 1 8 12
M  V30 14 1 9 10
M  V30 15 2 10 11
M  V30 16 1 14 19
M  V30 17 2 14 15
M  V30 18 1 15 16
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 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
葡萄	Rose Apple	Fructus Syzygii

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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