应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜    

小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 天然药物化学 » 求4个化合物的微谱数据库查询（50金币）
71/1返回列表
查看: 1853  |  回复: 6
只看楼主 @他人 存档 新回复提醒 (忽略) 收藏    在APP中查看

匿名

用户注销 (小有名气)
本帖仅楼主可见

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:
1楼 2012-11-01 14:51:22
已阅   同方向广播   申请PhEPI   回复此楼   编辑   查看我的主页

lifeliuyan

至尊木虫 (职业作家)
按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如：
如：21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
赞一下 回复此楼
2楼2012-11-01 16:42:18
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

匿名

用户注销 (小有名气)
本帖仅楼主可见
赞一下
3楼2012-11-01 18:18:15
已阅   申请PhEPI   回复此楼   编辑   查看我的主页

lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

感谢参与，应助指数 +1
第一个 查询结果：共查到319个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     (R)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenyl hydrogen phenyl
    相似度:62.5%
Bioorganic & Medicinal Chemistry Letters          2010          20          5623-5629
Marvin A. Soriano-Ursúa, José Correa-Basurto, Ignacio Valencia-Hernández, Marcos A. Amezcua-Gutiérrez, Itzia I. Padilla-Martínez, José G. Trujillo-Ferrara
Marvin A. Soriano-Ursúa, José Correa-Basurto, Ignacio Valencia-Hernández, Marcos A. Amezcua-Gutiérrez, Itzia I. Padilla-Martínez, José G. Trujillo-Ferrara
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




2 .     N-{2-[(benzylamino)carbonyl]phenyl}-thiazolidine-4-carboxamide hydrochloride
C18H19N3O2S     相似度:62.5%
Tetrahedron          2012          68          3098-3102
Synthesis of condensed tetrahydroimidazo[1,2-a]quinazoline-1,5-dione derivatives
Rustam T. Iminov, Anton V. Tverdokhlebov, Andrey A. Tolmachev, Yulian M. Volovenko, Svetlana V. Shishkina, Oleg. V. Shishkin
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




3 .     chlidanthine
C17H21NO     相似度:58.8%
Molecules          2011          16          9520-9533
Acetylcholinesterase-inhibiting Alkaloids from Zephyranthes concolor
Ricardo Reyes-Chilpa, Strahil Berkov, Simón Hernández-Ortega, Christopher K. Jankowski, Sebastien Arseneau, Imma Clotet-Codina, José A. Esté, Carles Codina, Francesc Viladomat and Jaume Bastida
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




4 .     6,6a,7,7a,8,9,10,11a,12-nonahydro-3-methoxy-7-phenylbenzo[e][1,2]oxathiino[3,4-b]pyrrolizine-6,6-dioxide
C20H21NO4S     相似度:58.8%
Tetrahedron          2012          68          3641-3648
Synthesis of novel tricyclic and tetracyclic sultone scaffolds via intramolecular 1,3-dipolar cycloaddition reactions
Mehdi Ghandi, Abuzar Taheri, Abolfazl Hasani Bozcheloei, Alireza Abbasi, Reza Kia
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




5 .     Compound 10h
    相似度:58.8%
Chemical Research in Chinese Universities          2011          27          808-812
Synthesis and Immunosuppressive Activity of New Amino Alcohols Derivatives(II)
CUI Lin-lin, MI Hao-yu, ZHANG Qun-li, WANG Wei-wei, YANG Li-juan, LIANG Yong-tao* and WANG En-si
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




6 .     rans-3-Chloro-2-(3-chlorophenyl)-4-oxo-N-[3-(10H-phenothiazin-10-yl)propyl]azetidine-1-carboxamide
C25H21Cl2N3O2S     相似度:57.8%
Helvetica Chimica Acta          2012          95          514-521
Synthesis of Some New 2-Oxo-N-[(10H-phenothiazin-10-yl)alkyl] Derivatives of Azetidine-1-carboxamides
Ritu Sharma, Pushkal Samadhiya, S. D. Srivastava, and S. K. Srivastava
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




7 .     (Z)-3-{4-(4-methoxybenzyloxy)phenyl}isoxazol-5-yl]methylidene-l-azabicyclo[2.2.2]octane
C26H26N2O3     相似度:57.8%
Bioorganic & Medicinal Chemistry Letters          1999          9          2795-2800
Binding affinities of 3-(3-phenylisoxazol-5-yl)methylidene-1-azabicycles to acetylcholine receptors
Kyung Il Choi, Joo Hwan Cha, Yong Seo Cho, Ae Nim Pae, Changbae Jin, Juwon Yook, Hyae Gyeong Cheon, Daeyoung Jeong, Jae Yang Kong, Hun Yeong Koh
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




8 .     plicatin B methyl Ether
C16H20O3     相似度:56.2%
Journal of Natural Products          1999          62          102-106
Structure-Antimutagenic Activity Relationship Study of Plicatin B1, 2
Sanjay R. Menon, Vishal K. Patel, Lester A. Mitscher, Peter Shih, Segaran P. Pillai, and Delbert M. Shankel
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




9 .     Methyl 2-[3-methyl-3-(2-phenylethyl)thioureido]benzoate
C18H20N2O2S     相似度:56.2%
Molecules          2009          14          378-402
2-Amino- and 2-Alkylthio-4H-3, 1-benzothiazin-4-ones: Synthesis, Interconversion and Enzyme Inhibitory Activities
Hans-Georg Häcker, Florian Grundmann, Friederike Lohr, Philipp A. Ottersbach, Jing Zhou, Gregor Schnakenburg and Michael Gütschow
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




10 .     2-[N-Methyl-N-(2-phenylethyl)amino]-4H-3,1-benzothiazin-4-one
C17H16N2OS     相似度:56.2%
Molecules          2009          14          378-402
2-Amino- and 2-Alkylthio-4H-3, 1-benzothiazin-4-ones: Synthesis, Interconversion and Enzyme Inhibitory Activities
Hans-Georg Häcker, Florian Grundmann, Friederike Lohr, Philipp A. Ottersbach, Jing Zhou, Gregor Schnakenburg and Michael Gütschow
Structure      13C NMR   碳谱模拟图
赞一下 回复此楼
4楼2012-11-01 18:35:40
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

第二个


查询结果：共查到2437个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     aurantiamide acetate
    相似度:95.4%
Journal of Chinese Pharmaceutical Sciences          1999          8          171-172
A Dipeptide Isolated from Aster tataricus L.f
Wang Zhengtao; Lu Yanhua; Ye Wencai; Xu Luoshan; Xu Guojun; and Shu Yuezhong
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




2 .     aurantiamide acetate
C27H28N2O4     相似度:95.4%
Journal of Chinese Pharmaceutical Sciences          2003          12          231-233
Aurantiamide Acetate from Stems of Zanthoxylum Dissitum Hemsley
TANGJun , Supinya Tewtrakul , WANG Zheng-tao , and TU Zhi-ben
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




3 .     aurantiamide acetate
    相似度:95.4%
China Journal of Chinese Materia Medica          2008          33          524-526
Chemical constituents from Hedyotis diffusa
HUANG Weihua, LI Youbin, JIANG Jianqin
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




4 .     autantiamide acetate
    相似度:95.4%
China Journal of Chinese Materia Medica          2007          32          923-926
Studies on chemical constituents of Prunella vulgaris
GU Xiaojie, LI Youbin, LI Ping, QIAN Shihui, DUAN Jinao
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




5 .     aurantiamide acetate
    相似度:95.4%
China Journal of Chinese Materia Medica          2007          32          39-41
Studies on the alkaloids of Anemarrhena asphodeloides
SHENG Li, DAI Shengjun, ZHAO Dazhou
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




6 .     N(N-benzoyl-S-phenylalaninyl)-S-phenylalaninol
    相似度:95.4%
China Journal of Chinese Materia Medica          2004          29          42-44
The new secondary metabolite from Polygonatum odoratum
QIN Hailin, LI Zhihong, WANG Peng, SI Lixian
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




7 .     (2S,1''S)-aurantiamide acetate
C27H26N2O4     相似度:95.4%
Acta Pharmaceutica Sinica          2007          Vol 42          279-284
Chemical constituents from Flos Sesamum indicum L.
HU Yong-mei; YE Wen-cai; YIN Zhi-qi; ZHAO Shou-xun
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




8 .     patriscabratine
C27H28N2O4     相似度:95.4%
Acta Pharmaceutica Sinica          2002          Vol 37          867-869
A NEW ALKALOID FROMPATRINIA SCABRA BUNGE
GU Zheng-bing; YANG Gen-jin; LI Ting-zhao; LIU Wen-yong; QIU Yan; ZHANG Wei-dong
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




9 .     saropeptate
C27H28N2O4     相似度:95.4%
Phytochemistry          1991          30          3639-3641
A dipeptide derivative fromHypericum japonicum
Kyoko Ishiguro, Satoko Nagata, Hisae Fukumoto, Masae Yamaki, Shuzo Takagi, Koichiro Isoi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




10 .     aurantiamide acetate
    相似度:95.4%
Phytochemistry          1991          30          3323-3325
Dipeptides from the red alga Acantophora spicifera
Solimabi Wahidulla, Lisette D'Souza, S. Y. Kamat
Structure      13C NMR   碳谱模拟图
赞一下 回复此楼
5楼2012-11-01 18:37:13
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

第三个


查询结果：共查到50个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     fruticosiamine A
C22H24N2O5     相似度:68.1%
Heterocycles          2008          76          867-874


Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




2 .     (-)-(R)-13aα-6-O-desmethylantofine
    相似度:59.0%
Journal of Natural Products          2002          65          1299-1302
In Vitro Cytotoxic Activity of Phenanthroindolizidine Alkaloids from Cynanchum vincetoxicum and Tylophora tanakae against Drug-Sensitive and Multidrug-Resistant Cancer Cells
Dan Stærk, Anne K. Lykkeberg, Jette Christensen, Bogdan A. Budnik,Fumiko Abe, and Jerzy W. Jaroszewski
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




3 .     Fruticosamine
    相似度:59.0%
Magnetic Resonance in Chemistry          2005          43          483-485
NMR spectral assignments of three aspidofractinine alkaloids, kopsine, fruticosine and fruticosamine
Robert P. Glover, K. Yoganathan and Mark S. Butler
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




4 .     compound 13
C23H26N2O5     相似度:56.5%
Tetrahedron          1999          55          1457-1468
Structure and biomimetic, electrochemically-mediated semisynthesis of the novel pentacyclic indole danuphylline
Toh-Seok Kam, Tuck-Meng Lim, Yeun-Mun Choo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




5 .     daphniyunnine B
C21H29NO3     相似度:54.5%
Journal of Natural Products          2006          69(4)          553-557
Daphniyunnines A−E, Alkaloids from Daphniphyllum yunnanense
Hua Zhang, Sheng-Ping Yang, Cheng-Qi Fan, Jian Ding, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




6 .     strychnine
    相似度:54.5%
Acta Pharmaceutica Sinica          1994          29          44-48
ANALYSIS OF SPECTRAL DATA FOR 13CNMR OF SIXTEEN STRYCHNOS ALKALOIDS
BC Cai; H Wu; XW Yang; M Hattori and T Nainba
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




7 .     vincamajine
    相似度:54.5%
Phytochemistry          1994          35          249-252
Indole alkaloids from leaves of Alstonia macrophylla in Thailand
Fumiko Abe, Tatsuo Yamauchi, Thawatchai Santisuk
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




8 .     isoretuline
    相似度:54.5%
Phytochemistry          1985          24          205-207
Strychnozairine, an indole alkaloid from Strychnos variabilis
Monique Tits, Dirk Tavernier, Luc Angenot
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




9 .     Ethyl-(4-nitrophenyl)-4-(4-nitrophenylamino)-2,6-bis(4-tolyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
C34H32N4O6     相似度:54.5%
Tetrahedron          2012          68          363-369
One-pot synthesis of highly diversified tetrahydropyridines by tandem condensation of aldehydes, amines, and β-ketoesters
Rajamanickam Ramachandran, Sampathkumar Jayanthi, Yeon Tae Jeong
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




10 .     2-chloro-5-methyl-11-(4-methyl-1,4-diazepan-1-yl)-5H-indolo[2,3-b]quinoline
    相似度:54.5%
Bioorganic & Medicinal Chemistry          2012          20          4820-4829
Synthesis and in vitro antiproliferative activity of new 11-aminoalkylamino-substituted 5H- and 6H-indolo[2,3-b]quinolines; structure–activity relationships of neocryptolepines and 6-methyl congeners
Li Wang, Marta Świtalska, Zhen-Wu Mei, Wen-Jie Lu, Yoshito Takahara, Xing-Wen Feng, Ibrahim El-Tantawy El-Sayed, Joanna Wietrzyk, Tsutomu Inokuchi
Structure      13C NMR   碳谱模拟图
赞一下 回复此楼
6楼2012-11-01 18:38:07
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
123456wzw: 金币+50, ★★★★★最佳答案 2012-11-01 18:53:57
第四个
查询结果：共查到24个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     iodanthine hydrochloride
C18H28O5N     相似度:55.5%
Journal of Natural Products          1999          62          1039-1043
Iodanthine, a Pyrrolizidine Alkaloid from Senecio iodanthus and Senecio bracteatus
Ana-L. Pérez-Castorena, Amira Arciniegas, Ricardo Pérez, Humberto Gutierrez, Rubén A. Toscano, José L. Villaseñ or, and Alfonso Romo de Vivar
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




2 .     Fruticosine
    相似度:54.5%
Magnetic Resonance in Chemistry          2005          43          483-485
NMR spectral assignments of three aspidofractinine alkaloids, kopsine, fruticosine and fruticosamine
Robert P. Glover, K. Yoganathan and Mark S. Butler
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




3 .     isoplorantinone
C15H22O2     相似度:52.9%
Helvetica Chimica Acta          2003          Vol. 86          2424
Novel Sesquiterpenes from the Fungus Lactarius piperatus
Ying Wang, Sheng-Ping Yang, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




4 .     7-[1-(4-trifluoromethylphenyl)allyl]-11-oxatricyclo[5.3.2.01,6]dodecan-12-one
C21H25O2F3     相似度:52.9%
Heterocycles          2004          62          735-748
Microwave Assisted Pericyclic Reactions in Cascade to Construct Decalin Frameworks Possessing Quaternary Centers. Scope and Limitations
Julie A. Farand, Irina Denissova, and Louis Barriault*
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




5 .     compound 14b
    相似度:52.9%
Tetrahedron Letters          2002          43          7863-7866
A combined, 6-exo-dig radical cyclization-palladium catalyzed allylic amination, approach to aminocarbasugar analogs: synthesis of novel N-substituted aminocyclitols from d-mannose
Ana M. Gómez, Eduardo Moreno, Serafı́n Valverde, J.Cristóbal López
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




6 .     compound 16
    相似度:52.9%
Tetrahedron Letters          2003          44          5243-5246
The first total synthesis of the novel triquinane natural products pleurotellol and pleurotellic acid
Goverdhan Mehta, A.Sai Krishna Murthy
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




7 .     (±)-(E)-10,10-ethylenedioxy-4-hydroxy-7-isopropyl-4-methylundec-5-en-2-one
    相似度:52.9%
Acta Chemica Scandinavica          1990          44          504-512
The Function of the 5-Hydroxymethyl Group of Lactose in Enzymatic Hydrolysis with beta-Galactosidase from E. coli.
Adelhorst, Kim; Bock, Klaus
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




8 .     (±)-(E)-10,10-ethylenedioxy-4-hydroxy-7-isopropyl-4-methylundec-5-en-2-one
    相似度:52.9%
Acta Chemica Scandinavica          1990          44          504-512
The Function of the 5-Hydroxymethyl Group of Lactose in Enzymatic Hydrolysis with beta-Galactosidase from E. coli.
Adelhorst, Kim; Bock, Klaus
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




9 .     1-allyloxymethyl-2-(2-butenyl)-5-ethoxy-4-methoxybenzene
C17H24O3     相似度:52.9%
Heterocycles          2002          57          2021-2033
A Synthesis of Substituted 3,6-Dihydro-1H-benzo[c]oxocines via Claisen Rearrangement and Ring-closing Metathesis
Eng-Chi Wang,* Chin-Cheng Wang, Ming-Kun Hsu, and Keng-Shiang Huang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




10 .     (2E,6E,8E,12R)-12-methoxy-9-methylpentadeca-2,6,8,14-tetraene
C17H28O     相似度:52.9%
Tetrahedron          1996          52          14543-14562
Synthetic study on curacin A: A novel antimitotic agent from the cyanobacterium Lyngbya majuscula
Toshihiko Onoda, Ryuichi Shirai, Yukiko Koiso, Shigeo Iwasaki
Structure      13C NMR   碳谱模拟图
赞一下 回复此楼
7楼2012-11-01 18:38:31
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 学员htk6io 的主题更新
71/1返回列表
普通表情 龙 兔 虎 猫
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[论文投稿] 售SCI文章，我:8O.5.5.1O.54,科目全,可十急 +3 ANUsWpSnuWQD 2026-08-06 4/200 2026-08-07 04:46 by nSM3ys5fefM3
[基金申请] 听说今天filecode变了 +19 布布和一二 2026-08-06 34/1700 2026-08-07 03:13 by 虫友是什么虫
[基金申请] 基金中了 +6 laoda193707 2026-08-06 6/300 2026-08-06 23:34 by dragonxp
[基金申请] filecode +10 等待解的谜 2026-08-06 14/700 2026-08-06 21:16 by zhanghaozhu
[基金申请] 固定端突然变了，今天 +3 archvillain 2026-08-06 7/350 2026-08-06 21:05 by archvillain
[基金申请] filecode +8 布布和一二 2026-08-06 11/550 2026-08-06 20:41 by tangpu318
[基金申请] 大家散了吧，后缀研究没有意义，别浪费时间了，过好目前的每一天，不要焦虑 +5 Tide man 2026-08-06 6/300 2026-08-06 20:19 by 苏知砚
[基金申请] 求各位大神看下 100+6 hpkpkpkp 2026-08-05 33/1650 2026-08-06 14:49 by zhiyanjiang
[教师之家] 咨询面上基金 +4 李长云 2026-07-31 7/350 2026-08-06 11:20 by 李长云
[基金申请] 影响面上的因素 +8 布布和一二 2026-08-05 11/550 2026-08-06 10:41 by 宝贝虫子
[基金申请] 8月时间戳变的，举个手。玩一下，释放压力 +9 archvillain 2026-08-04 11/550 2026-08-05 20:06 by wlwhappy
[基金申请] 面上再次挂了，太难了，躺也躺不了，倦也卷不过，小学校之殇！ +22 低垂的野花 2026-07-31 30/1500 2026-08-05 18:03 by 低垂的野花
[基金申请] 好消息？这个有何含义？？？ +8 Tide man 2026-08-05 10/500 2026-08-05 16:14 by xmuxiaoyu
[考博] 【2027博士申请】纳米药物递送方向 20+3 13586093586 2026-08-03 4/200 2026-08-05 09:59 by lfy8008
[基金申请] 有没有H口的？有收到消息的吗？ +3 超级海虾 2026-08-04 3/150 2026-08-04 17:26 by 学教育滴
[论文投稿] 十年后又回来了，论文投稿求助 +3 哈哈114477 2026-08-01 3/150 2026-08-04 15:40 by tegsgjy20
[基金申请] 纯娱乐，不喜欢勿喷 +7 Tide man 2026-08-04 10/500 2026-08-04 15:10 by loufangrui
[基金申请] 面上提前没消息，有中的吗 +14 archvillain 2026-08-02 18/900 2026-08-04 14:42 by archvillain
[基金申请] 娱乐 +4 Tide man 2026-08-03 4/200 2026-08-04 11:51 by wgch518
[基金申请] 什么时候能放榜呀？ +3 Jacob678 2026-08-03 3/150 2026-08-03 16:14 by gltch
信息提示
关闭
请填处理意见
关闭