CAS号:3789-75-1-808猩红 - Bronze Red-科华智慧

1. 主信息

英文名:	Bronze Red
中文名:	808猩红
CAS编号:	3789-75-1
化学分子式：	C₂₃H₁₇N₃O₂
化学分子量：	367.4 g/mol
SMILES：	C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4
来源：	密脉鹅掌柴
结构类型：	酰胺类
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 45 48 0 0 0 0 0 0 0999 V2000 0.0575 -1.6087 -0.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 -1.1338 1.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 0.0273 -0.2495 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4041 -0.2560 -0.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -0.5494 0.5271 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 1.8652 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0715 2.5557 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 0.4326 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 0.4639 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 1.8247 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 -0.2466 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 2.5966 -0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 3.9569 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 -0.2888 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 3.9886 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 4.6676 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7219 -0.5226 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 -1.5132 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6557 -0.0739 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -1.2699 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3586 -2.0552 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 -0.6157 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2923 -1.6063 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3825 -0.5931 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1437 -2.6615 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5367 -1.3081 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2977 -3.3765 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4943 -2.6998 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 2.3506 0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 2.1071 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8114 4.5086 0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 4.5427 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 5.7513 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2457 0.7364 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 -1.9624 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4074 -1.9119 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3949 0.6975 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6335 -2.8266 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6681 -0.2663 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2930 -2.0281 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4265 0.4909 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2162 -3.1977 0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4684 -0.7812 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -4.4602 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3929 -3.2565 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 35 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-hydroxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide

4.2 InChl

InChI=1S/C23H17N3O2/c27-22-20(23(28)24-17-10-3-1-4-11-17)15-16-9-7-8-14-19(16)21(22)26-25-18-12-5-2-6-13-18/h1-15,27H,(H,24,28)

4.3 InChlKey

WYUHTVDGHDRPDW-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.06218 -4.5 0 0
M  V30 2 C 5.19615 -4 0 0
M  V30 3 C 5.19615 -3 0 0
M  V30 4 C 6.06218 -2.5 0 0
M  V30 5 C 6.9282 -3 0 0
M  V30 6 C 6.9282 -4 0 0
M  V30 7 N 6.06218 -1.5 0 0
M  V30 8 C 5.19615 -1 0 0
M  V30 9 O 5.19615 1.4988e-15 0 0
M  V30 10 C 4.33013 -1.5 0 0
M  V30 11 C 4.33013 -2.5 0 0
M  V30 12 C 3.4641 -3 0 0
M  V30 13 C 3.4641 -4 0 0
M  V30 14 C 2.59808 -4.5 0 0
M  V30 15 C 1.73205 -4 0 0
M  V30 16 C 1.73205 -3 0 0
M  V30 17 C 2.59808 -2.5 0 0
M  V30 18 C 2.59808 -1.5 0 0
M  V30 19 C 3.4641 -1 0 0
M  V30 20 O 3.4641 9.99201e-16 0 0
M  V30 21 N 1.73205 -1 0 0
M  V30 22 N 0.866025 -1.5 0 0
M  V30 23 C 2.0648e-15 -1 0 0
M  V30 24 C -0.866025 -1.5 0 0
M  V30 25 C -1.73205 -1 0 0
M  V30 26 C -1.73205 -2.27596e-15 0 0
M  V30 27 C -0.866025 0.5 0 0
M  V30 28 C -0 -0 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 4 5
M  V30 6 1 4 7
M  V30 7 2 5 6
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 8 10
M  V30 11 1 10 19
M  V30 12 2 10 11
M  V30 13 1 11 12
M  V30 14 1 12 17
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 2 14 15
M  V30 18 1 15 16
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 2 18 19
M  V30 22 1 18 21
M  V30 23 1 19 20
M  V30 24 2 21 22
M  V30 25 1 22 23
M  V30 26 1 23 28
M  V30 27 2 23 24
M  V30 28 1 24 25
M  V30 29 2 25 26
M  V30 30 1 26 27
M  V30 31 2 27 28
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
密脉鹅掌柴	Densevein Schefflera	Schefflera venulosa

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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