CAS号:53846-50-7-8-异戊烯基柚皮素 - 8-Prenylnaringenin-科华智慧

1. 主信息

英文名:	8-Prenylnaringenin
中文名:	8-异戊烯基柚皮素
CAS编号:	53846-50-7
化学分子式：	C₂₀H₂₀O₅
化学分子量：	340.4 g/mol
SMILES：	CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C
来源：	-
结构类型：	-
其它名称或标识：	8-prenyl-naringenin 8-prenylnaringenin

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%	1024	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 45 47 0 1 0 0 0 0 0999 V2000 0.0036 0.0999 -0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 3.6971 0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 2.6279 0.5723 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -1.9068 -0.7761 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2623 0.2329 -0.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 1.0318 0.4104 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3189 2.4699 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 0.2366 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 1.4284 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 2.6279 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 -0.8836 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2059 0.8186 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -2.1593 -1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3783 1.4938 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5254 -0.8200 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 0.3644 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0258 0.3971 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7476 1.0433 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 -3.0691 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 0.2000 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 0.8463 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 -3.5531 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9318 0.4246 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -4.4600 1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 -3.1884 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 0.8046 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 3.1699 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 2.7405 -0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -1.9413 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 -2.7126 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 0.4068 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 0.2168 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 1.3600 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 -3.3744 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 -0.1290 1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 1.0222 -2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 2.4602 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 -1.6762 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6351 -4.7056 2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9672 -3.9807 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 -5.3984 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -2.3642 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 -4.0611 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0728 -2.8855 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 0.4345 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 10 2 0 0 0 0 3 14 1 0 0 0 0 3 37 1 0 0 0 0 4 15 1 0 0 0 0 4 38 1 0 0 0 0 5 23 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1

4.3 InChlKey

LPEPZZAVFJPLNZ-SFHVURJKSA-N

4.4 Canonical SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C

4.5 lsomeric SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.33013 -3.5 0 0
M  V30 2 C 3.4641 -3 0 0
M  V30 3 C 3.4641 -2 0 0
M  V30 4 C 4.33013 -1.5 0 0
M  V30 5 C 4.33013 -0.5 0 0
M  V30 6 C 3.4641 4.44089e-15 0 0
M  V30 7 C 3.4641 1 0 0
M  V30 8 C 4.33013 1.5 0 0
M  V30 9 C 5.19615 1 0 0
M  V30 10 C 5.19615 7.10543e-15 0 0
M  V30 11 O 6.06218 -0.5 0 0
M  V30 12 O 4.33013 2.5 0 0
M  V30 13 C 2.59808 1.5 0 0
M  V30 14 O 2.59808 2.5 0 0
M  V30 15 C 1.73205 1 0 0
M  V30 16 C 1.73205 2.44249e-15 0 0
M  V30 17 O 2.59808 -0.5 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 C 0.866025 -1.5 0 0
M  V30 20 C 2.88658e-15 -2 0 0
M  V30 21 C -0.866025 -1.5 0 0
M  V30 22 C -0.866025 -0.5 0 0
M  V30 23 C -0 -0 0 0
M  V30 24 O -1.73205 -2 0 0
M  V30 25 C 2.59808 -3.5 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 17
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 7 13
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 2 13 14
M  V30 17 1 13 15
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 1 16 18
M  V30 21 1 18 23
M  V30 22 2 18 19
M  V30 23 1 19 20
M  V30 24 2 20 21
M  V30 25 1 21 22
M  V30 26 1 21 24
M  V30 27 2 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

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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