CAS号:3952-18-9-柏木双黄酮 - Cupressuflavone-科华智慧

1. 主信息

英文名:	Cupressuflavone
中文名:	柏木双黄酮
CAS编号:	3952-18-9
化学分子式：	C₃₀H₁₈O₁₀
化学分子量：	538.5 g/mol
SMILES：	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O
来源：	-
结构类型：	双黄酮类
其它名称或标识：	cupressuflavone

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	10mg	HPLC≥98%	3600	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 58 63 0 0 0 0 0 0 0999 V2000 1.7313 -0.5330 -0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 0.5330 -0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -0.9189 -3.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 0.9188 -3.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -4.8663 -2.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 4.8662 -2.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 -4.5710 -0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 4.5710 -0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 2.5521 3.7433 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5033 -2.5520 3.7433 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 -0.7228 -1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 0.7228 -1.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -1.3439 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 1.3438 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 -2.7317 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 2.7316 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -1.4947 -2.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 1.4946 -2.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 -3.5080 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 3.5080 -1.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 -2.8841 -2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 2.8840 -2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -3.3601 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 3.3601 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 -1.1228 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 1.1228 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 -2.4448 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8652 2.4448 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -0.1596 1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 0.1596 1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 -0.4462 1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7016 0.4462 1.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 1.0431 1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 -1.0430 1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 0.4639 2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4096 -0.4638 2.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5072 1.9534 2.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 -1.9532 2.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 1.6637 2.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 -1.6636 2.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 -3.4888 -3.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 3.4888 -3.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -2.9043 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 2.9043 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -1.6141 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.6140 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 -1.3592 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2098 1.3592 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 1.2910 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 -1.2909 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0834 -5.1859 -1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 5.1859 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4275 0.2291 2.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4275 -0.2290 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0364 2.8858 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -2.8856 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 2.1904 3.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3877 -2.1903 3.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 25 1 0 0 0 0 2 14 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 45 1 0 0 0 0 4 18 1 0 0 0 0 4 46 1 0 0 0 0 5 19 1 0 0 0 0 5 51 1 0 0 0 0 6 20 1 0 0 0 0 6 52 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 39 1 0 0 0 0 9 57 1 0 0 0 0 10 40 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 32 2 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 31 47 1 0 0 0 0 32 36 1 0 0 0 0 32 48 1 0 0 0 0 33 37 2 0 0 0 0 33 49 1 0 0 0 0 34 38 2 0 0 0 0 34 50 1 0 0 0 0 35 39 2 0 0 0 0 35 53 1 0 0 0 0 36 40 2 0 0 0 0 36 54 1 0 0 0 0 37 39 1 0 0 0 0 37 55 1 0 0 0 0 38 40 1 0 0 0 0 38 56 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H

4.3 InChlKey

LADPNODMUXOPRG-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)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 40 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.9282 1 0 0
M  V30 2 C 7.79423 1.5 0 0
M  V30 3 C 8.66025 1 0 0
M  V30 4 C 8.66025 1.19904e-14 0 0
M  V30 5 C 7.79423 -0.5 0 0
M  V30 6 C 6.9282 1.15463e-14 0 0
M  V30 7 C 6.06218 -0.5 0 0
M  V30 8 C 6.06218 -1.5 0 0
M  V30 9 C 5.19615 -2 0 0
M  V30 10 O 5.19615 -3 0 0
M  V30 11 C 4.33013 -1.5 0 0
M  V30 12 C 4.33013 -0.5 0 0
M  V30 13 O 5.19615 9.32587e-15 0 0
M  V30 14 C 3.4641 5.9952e-15 0 0
M  V30 15 C 2.59808 -0.5 0 0
M  V30 16 C 2.59808 -1.5 0 0
M  V30 17 C 3.4641 -2 0 0
M  V30 18 O 3.4641 -3 0 0
M  V30 19 O 1.73205 3.77476e-15 0 0
M  V30 20 C 3.4641 1 0 0
M  V30 21 C 4.33013 1.5 0 0
M  V30 22 C 4.33013 2.5 0 0
M  V30 23 C 3.4641 3 0 0
M  V30 24 C 2.59808 2.5 0 0
M  V30 25 C 2.59808 1.5 0 0
M  V30 26 O 1.73205 1 0 0
M  V30 27 C 0.866025 1.5 0 0
M  V30 28 C 0.866025 2.5 0 0
M  V30 29 C 1.73205 3 0 0
M  V30 30 O 1.73205 4 0 0
M  V30 31 C -9.99201e-16 1 0 0
M  V30 32 C -0.866025 1.5 0 0
M  V30 33 C -1.73205 1 0 0
M  V30 34 C -1.73205 -1.33227e-15 0 0
M  V30 35 C -0.866025 -0.5 0 0
M  V30 36 C 0 -0 0 0
M  V30 37 O -2.59808 -0.5 0 0
M  V30 38 O 3.4641 4 0 0
M  V30 39 O 5.19615 1 0 0
M  V30 40 O 9.52628 1.5 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 3 40
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 13
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 2 9 10
M  V30 13 1 9 11
M  V30 14 1 11 17
M  V30 15 2 11 12
M  V30 16 1 12 13
M  V30 17 1 12 14
M  V30 18 2 14 15
M  V30 19 1 14 20
M  V30 20 1 15 16
M  V30 21 1 15 19
M  V30 22 2 16 17
M  V30 23 1 17 18
M  V30 24 1 20 25
M  V30 25 2 20 21
M  V30 26 1 21 22
M  V30 27 1 21 39
M  V30 28 2 22 23
M  V30 29 1 23 24
M  V30 30 1 23 38
M  V30 31 1 24 29
M  V30 32 2 24 25
M  V30 33 1 25 26
M  V30 34 1 26 27
M  V30 35 2 27 28
M  V30 36 1 27 31
M  V30 37 1 28 29
M  V30 38 2 29 30
M  V30 39 1 31 36
M  V30 40 2 31 32
M  V30 41 1 32 33
M  V30 42 2 33 34
M  V30 43 1 34 35
M  V30 44 1 34 37
M  V30 45 2 35 36
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
侧柏叶	leafy twigs of Oriental Arborvitae	Cacumen et Folium Biotae

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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