CAS号:68097-13-2-- - 6-Prenylapigenin-科华智慧

1. 主信息

英文名:	6-Prenylapigenin
中文名:	-
CAS编号:	68097-13-2
化学分子式：	C₂₀H₁₈O₅
化学分子量：	338.4 g/mol
SMILES：	CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)C
来源：	-
结构类型：	黄酮类
其它名称或标识：	6-prenylapigenin

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%	4160	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 43 45 0 0 0 0 0 0 0999 V2000 1.3573 0.8116 0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 -1.7078 0.6087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 3.0631 0.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -2.8479 0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6272 0.4548 -0.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7714 0.6653 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -0.4989 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -0.5322 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 0.7198 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 0.6454 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 1.8865 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 1.9154 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0983 -1.7443 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 -0.3603 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -1.5918 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9994 0.6611 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 -0.1470 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 -0.2448 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 -1.0863 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.9959 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5873 -0.1667 -2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2234 -1.4630 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -0.8840 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 1.1981 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2891 0.2581 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 -0.1747 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5758 1.5329 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 2.8638 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 -2.5059 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7971 1.5265 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1257 -1.9776 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 1.7405 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -2.4637 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 3.8013 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3169 0.7421 -2.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3243 -1.0251 -2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6720 -0.1583 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5429 -1.6857 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2326 -1.3607 0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2129 -2.3513 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5202 -1.6172 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 2.0910 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 1.2934 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 2 33 1 0 0 0 0 3 11 1 0 0 0 0 3 34 1 0 0 0 0 4 13 2 0 0 0 0 5 25 1 0 0 0 0 5 43 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 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 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 31 1 0 0 0 0 20 24 2 0 0 0 0 20 32 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 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-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one

4.2 InChl

InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9-10,21-22,24H,8H2,1-2H3

4.3 InChlKey

VJDRSTHNWHVTNQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.9282 -4 0 0
M  V30 2 C 6.06218 -4.5 0 0
M  V30 3 C 5.19615 -4 0 0
M  V30 4 C 5.19615 -3 0 0
M  V30 5 C 4.33013 -2.5 0 0
M  V30 6 C 3.4641 -3 0 0
M  V30 7 C 2.59808 -2.5 0 0
M  V30 8 C 2.59808 -1.5 0 0
M  V30 9 C 3.4641 -1 0 0
M  V30 10 C 4.33013 -1.5 0 0
M  V30 11 O 5.19615 -1 0 0
M  V30 12 O 1.73205 -1 0 0
M  V30 13 C 0.866025 -1.5 0 0
M  V30 14 C 0.866025 -2.5 0 0
M  V30 15 C 1.73205 -3 0 0
M  V30 16 O 1.73205 -4 0 0
M  V30 17 C 2.55351e-15 -1 0 0
M  V30 18 C -0.866025 -1.5 0 0
M  V30 19 C -1.73205 -1 0 0
M  V30 20 C -1.73205 -1.55431e-15 0 0
M  V30 21 C -0.866025 0.5 0 0
M  V30 22 C 0 -0 0 0
M  V30 23 O -2.59808 0.5 0 0
M  V30 24 O 3.4641 -4 0 0
M  V30 25 C 6.06218 -5.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 25
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 10
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 24
M  V30 10 1 7 15
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 8 12
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 1 13 17
M  V30 19 1 14 15
M  V30 20 2 15 16
M  V30 21 1 17 22
M  V30 22 2 17 18
M  V30 23 1 18 19
M  V30 24 2 19 20
M  V30 25 1 20 21
M  V30 26 1 20 23
M  V30 27 2 21 22
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
黄烟木	-	Chlorophora tinctoria

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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