CAS号:23141-25-5-异长春花苷内酰胺 - Strictosamide-科华智慧

1. 主信息

英文名:	Strictosamide
中文名:	异长春花苷内酰胺
CAS编号:	23141-25-5
化学分子式：	C₂₆H₃₀N₂O₈
化学分子量：	498.5 g/mol
SMILES：	C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4
来源：	钩藤
结构类型：	酰胺类
其它名称或标识：	strictosamide

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≥95%	960	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 66 71 0 1 0 0 0 0 0999 V2000 2.0768 -2.0063 -0.6299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 0.0432 0.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 0.1090 0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2549 -2.1790 -3.0553 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 2.3783 -1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3095 4.0431 -0.6043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 2.4517 -0.8281 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5105 -1.4770 0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 -2.0237 -1.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 0.1852 1.4988 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5703 -1.5440 0.5363 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0333 -1.8850 0.1620 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8404 -2.2175 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 -1.8225 1.4125 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3261 -1.9312 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -0.5167 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 -1.7598 -2.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 -1.3806 0.6558 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2216 0.2220 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -2.0736 -1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2814 -0.2652 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 -2.1396 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6849 1.4359 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -3.2486 1.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 0.5096 -0.1435 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3643 1.3871 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 2.0339 -0.2256 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3087 2.6287 -0.8040 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5452 2.0530 -0.1138 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4786 0.5246 -0.0665 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3473 2.5755 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6782 2.4249 2.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -3.6323 3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 -0.0674 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6652 3.6203 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3351 3.5440 1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 -0.4563 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -2.6091 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0297 -1.9410 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7119 -3.3085 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 -1.1860 2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7284 -2.3917 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 -2.0312 -3.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 -1.6749 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2793 -0.1136 -2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 0.3220 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -2.4538 -2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 -0.1219 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -4.0156 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 0.0920 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 2.4667 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 2.4684 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 2.4670 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 0.0971 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 2.6492 -1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 2.3671 3.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 0.2761 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6073 0.1844 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -4.6792 3.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -2.9174 3.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 4.5008 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.9698 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 4.3669 2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 4.3883 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 2.0835 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6492 -1.6883 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 4 20 2 0 0 0 0 5 27 1 0 0 0 0 5 62 1 0 0 0 0 6 28 1 0 0 0 0 6 64 1 0 0 0 0 7 29 1 0 0 0 0 7 65 1 0 0 0 0 8 34 1 0 0 0 0 8 66 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 15 22 2 0 0 0 0 16 19 2 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 31 2 0 0 0 0 24 33 2 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 32 2 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 34 1 0 0 0 0 30 54 1 0 0 0 0 31 35 1 0 0 0 0 31 55 1 0 0 0 0 32 36 1 0 0 0 0 32 56 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 61 1 0 0 0 0 36 63 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one

4.2 InChl

InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1

4.3 InChlKey

LBRPLJCNRZUXLS-IUNANRIWSA-N

4.4 Canonical SMILES

C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4

4.5 lsomeric SMILES

C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 36 41 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -2.46432 -0.552537 0 0
M  V30 2 C -3.34029 -0.0466522 0 0
M  V30 3 C -3.34017 0.964906 0 0
M  V30 4 C -2.50512 1.44689 0 0
M  V30 5 C -1.67018 0.964704 0 0
M  V30 6 C -0.835129 1.44669 0 0
M  V30 7 C 0.000116713 0.964169 0 0
M  V30 8 C 0.835662 1.4465 0 0
M  V30 9 C 0.835528 2.41111 0 0
M  V30 10 C 0.000533626 2.89319 0 0
M  V30 11 N -0.835012 2.41086 0 0
M  V30 12 C -1.66995 2.89304 0 0
M  V30 13 O -1.66983 3.9046 0 0
M  V30 14 C -2.505 2.41106 0 0
M  V30 15 C -3.33994 2.89324 0 0
M  V30 16 O -4.17499 2.41126 0 0
M  V30 17 C -4.17511 1.44709 0 0
M  V30 18 O -5.0512 0.941419 0 0
M  V30 19 C -5.05133 -0.0701399 0 0
M  V30 20 C -5.92742 -0.575813 0 0
M  V30 21 C -5.92755 -1.58737 0 0
M  V30 22 C -5.05157 -2.09326 0 0
M  V30 23 C -4.17547 -1.58758 0 0
M  V30 24 O -4.17535 -0.576025 0 0
M  V30 25 C -3.2995 -2.09347 0 0
M  V30 26 O -3.29962 -3.10503 0 0
M  V30 27 O -5.05169 -3.10482 0 0
M  V30 28 O -6.80364 -2.09304 0 0
M  V30 29 O -6.8034 -0.0699278 0 0
M  V30 30 C 1.67079 -0.000183493 0 0
M  V30 31 C 2.50604 -0.482702 0 0
M  V30 32 C 2.50592 -1.44687 0 0
M  V30 33 C 1.67037 -1.92921 0 0
M  V30 34 C 0.835379 -1.44712 0 0
M  V30 35 C 0.835245 -0.482519 0 0
M  V30 36 N 0 0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 3 17
M  V30 4 1 3 4
M  V30 5 1 4 14
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 6 11
M  V30 9 1 6 7
M  V30 10 1 7 36
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 8 30
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 11 12
M  V30 17 2 12 13
M  V30 18 1 12 14
M  V30 19 2 14 15
M  V30 20 1 15 16
M  V30 21 1 16 17
M  V30 22 1 17 18
M  V30 23 1 18 19
M  V30 24 1 19 24
M  V30 25 1 19 20
M  V30 26 1 20 21
M  V30 27 1 20 29
M  V30 28 1 21 22
M  V30 29 1 21 28
M  V30 30 1 22 23
M  V30 31 1 22 27
M  V30 32 1 23 24
M  V30 33 1 23 25
M  V30 34 1 25 26
M  V30 35 1 30 35
M  V30 36 2 30 31
M  V30 37 1 31 32
M  V30 38 2 32 33
M  V30 39 1 33 34
M  V30 40 2 34 35
M  V30 41 1 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
大蓟	all-grass of Thistle	Herba Cirsii Japonici;Radix Cirsii Japonici;Herba
丁香	Clove	Flos Caryophylli
冬瓜皮	Chinese Waxgourd Peel	Exocarpium Benincasae
杜仲叶	Eucommiae Folium	-
番石榴叶	Guava Leaf	Psidium guajava
钩藤	Gambir Plant	Ramulus Uncariae cum Uncis
化香树叶	Dyetree Leaf	Platycarya strobilacea
鸡子木	Racemose Adina	Sinoadina racemosa [Syn. Adina racemosa ]
琉球蛇根草	Liukiu Ophiorrhiza	Ophiorrhiza liukiuensis

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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