CAS号:119425-89-7-龙血素A - Loureirin A-科华智慧

1. 主信息

英文名:	Loureirin A
中文名:	龙血素A
CAS编号:	119425-89-7
化学分子式：	C₁₇H₁₈O₄
化学分子量：	286.32 g/mol
SMILES：	COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC
来源：	剑叶龙血树
结构类型：	查耳酮类/二氢查耳酮类
其它名称或标识：	loureirin A

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%	384	点击购买	2-8℃	现货	-
科华智慧	200mg	HPLC≥98%	1920	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 39 40 0 0 0 0 0 0 0999 V2000 -2.1064 1.7229 -1.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6132 -1.3589 -0.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 1.9025 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 -1.6210 -0.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 1.0331 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 0.2529 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 0.4025 0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 0.7810 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 0.8593 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 -0.5582 1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.2155 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 0.1871 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7869 -1.1520 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 -0.7793 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -0.9502 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 0.7637 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 -1.5678 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4931 0.1461 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -1.0196 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 3.0799 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1383 -2.3396 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6414 1.0767 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 2.0791 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 0.2304 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4492 -0.7748 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -0.8572 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 0.4760 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1722 -1.8956 1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 -1.4118 -0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3813 1.6711 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 -2.4753 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4513 0.5779 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 3.7254 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 3.3248 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 3.2668 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3737 -1.9075 1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -3.2084 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0817 -2.6944 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -2.4133 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 21 1 0 0 0 0 3 9 2 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 10 13 2 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one

4.2 InChl

InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3

4.3 InChlKey

RSAIVLRELNGZEY-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.9282 -3 0 0
M  V30 2 O 6.9282 -2 0 0
M  V30 3 C 6.06218 -1.5 0 0
M  V30 4 C 5.19615 -2 0 0
M  V30 5 C 4.33013 -1.5 0 0
M  V30 6 C 4.33013 -0.5 0 0
M  V30 7 C 5.19615 2.05391e-15 0 0
M  V30 8 C 6.06218 -0.5 0 0
M  V30 9 C 3.4641 5.55112e-16 0 0
M  V30 10 C 2.59808 -0.5 0 0
M  V30 11 C 1.73205 -5.55112e-17 0 0
M  V30 12 O 1.73205 1 0 0
M  V30 13 C 0.866025 -0.5 0 0
M  V30 14 C 0.866025 -1.5 0 0
M  V30 15 C 9.61481e-16 -2 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -0.866025 -0.5 0 0
M  V30 18 C -0 -0 0 0
M  V30 19 O -1.73205 -2 0 0
M  V30 20 O 3.4641 -2 0 0
M  V30 21 C 2.59808 -1.5 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 2 5 6
M  V30 7 1 5 20
M  V30 8 1 6 7
M  V30 9 1 6 9
M  V30 10 2 7 8
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 1 13 18
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 1 16 19
M  V30 21 2 17 18
M  V30 22 1 20 21
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
蒺藜	Puncturevine Caltrop Fruit	Fructus Tribuli
剑叶龙血树	Swordleaf Dracaena Equivalent plant: Daemonorops d	Dracaena cochinchinensis
莲子心	Lotus Plumule	Plumula Nelumbinis

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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