CAS号:552-54-5-鼠李秦素 - Rhamnazin-科华智慧

1. 主信息

英文名:	Rhamnazin
中文名:	鼠李秦素
CAS编号:	552-54-5
化学分子式：	C₁₇H₁₄O₇
化学分子量：	330.29 g/mol
SMILES：	COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O
来源：	-
结构类型：	黄酮醇类
其它名称或标识：	rhamnazin

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%	4800	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 38 40 0 0 0 0 0 0 0999 V2000 0.4576 -0.6785 -0.1908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 2.7444 -0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -2.4450 0.2097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 2.2694 0.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 3.1527 0.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6869 -0.8086 1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 -1.1220 -0.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 0.8487 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.4364 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 0.4034 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 0.0038 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 1.6912 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 2.0010 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 1.0349 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 -1.5459 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 -1.3642 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5516 -0.0763 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 -0.2173 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 -0.1541 -1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 -0.5956 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 -0.5325 -1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 -0.7532 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 -3.7324 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3912 0.3124 2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1724 -2.5213 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 0.0598 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -0.0977 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 0.0141 -2.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -0.6535 -2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 2.4083 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 2.9613 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 -3.8830 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0385 -4.4742 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 -3.9143 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1717 -1.2713 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9724 -0.0250 3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 1.0827 2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0782 0.7278 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 30 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

4.2 InChl

InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3

4.3 InChlKey

MYMGKIQXYXSRIJ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.06218 -1.5 0 0
M  V30 2 O 5.19615 -1 0 0
M  V30 3 C 4.33013 -1.5 0 0
M  V30 4 C 4.33013 -2.5 0 0
M  V30 5 C 3.4641 -3 0 0
M  V30 6 C 2.59808 -2.5 0 0
M  V30 7 C 2.59808 -1.5 0 0
M  V30 8 C 3.4641 -1 0 0
M  V30 9 O 1.73205 -1 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 0.866025 -2.5 0 0
M  V30 12 C 1.73205 -3 0 0
M  V30 13 O 1.73205 -4 0 0
M  V30 14 O -1.77636e-15 -3 0 0
M  V30 15 C -7.77156e-16 -1 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -1.73205 -1 0 0
M  V30 18 C -1.73205 3.33067e-16 0 0
M  V30 19 C -0.866025 0.5 0 0
M  V30 20 C -0 -0 0 0
M  V30 21 O -2.59808 0.5 0 0
M  V30 22 O -2.59808 -1.5 0 0
M  V30 23 C -2.59808 -2.5 0 0
M  V30 24 O 3.4641 -4 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 24
M  V30 8 1 6 12
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 7 9
M  V30 12 1 9 10
M  V30 13 2 10 11
M  V30 14 1 10 15
M  V30 15 1 11 12
M  V30 16 1 11 14
M  V30 17 2 12 13
M  V30 18 1 15 20
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 17 22
M  V30 23 1 18 19
M  V30 24 1 18 21
M  V30 25 2 19 20
M  V30 26 1 22 23
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
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
川射干	Iridis Tectori Rhizoma	-
槲寄生	Colored Mistletoe Herb	Herba Visci
绞股蓝	Gynostemmae Pentaphylli Herba	-
射干	Blackberrylily Rhizome	Rhizoma Belamcandae
天山竹子	Dulcin Garcinia	Garcinia dulcis
云南含笑	Yunnan Michelia	Michelia yunnanensis

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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