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myvalerie至尊木蟲 (正式寫手)
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[求助]
微譜數(shù)據(jù)庫查詢一個化合物
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18.63,26.18,65.87,101.21,101.56,108.76,110.12,115.69,118.42,118.77,122.81, 125.30,125.91,127.97,130.55,139.95,147.99,152.96,158.35,163.80,175.00 模糊查詢，相似度大于50% |
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【答案】應(yīng)助回帖
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myvalerie: 金幣+15, ★有幫助, thanks! 2012-07-15 20:36:05
myvalerie: 金幣+15, ★有幫助, thanks! 2012-07-15 20:36:05
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查詢結(jié)果：共查到164個化合物(查詢結(jié)果僅供參考) -------------------------------------------------------------------------------- 1 . 3',4'-methylenedioxy-7-O-[(E)-3,7-dimethyl-2,6-octa-dienyl]isoflavone C26H26O5 相似度:73.0% Phytochemistry 1997 46 591-593 An O-geranylated isoflavone from Millettia griffoniana Emmauel Yankep, Z. T. Fomum, Ermias Dagne Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 2 . 7-(allyloxy)-3-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one C19H14O5 相似度:71.4% Bioorganic & Medicinal Chemistry 2010 18 249-266 The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 3 . 2',3-dihydroxy-4-methoxy-4'-γ,γ-dimethylallyloxychalcone C21H22O5 相似度:61.9% Phytochemistry 2006 67 812-817 Flavonoids from the pods of Millettia erythrocalyx Boonchoo Sritularak, Kittisak Likhitwitayawuid Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 4 . 7-methoxy-3',4'-methylenedioxyisoflavone C17H12O5 相似度:61.9% Journal of Natural Products 2003 66 210-216 Six New Isoflavones and a 5-Deoxyflavonol Glycoside from the Leaves of Ateleia herbert-smithii Nigel C. Veitch, Polly S. E. Sutton, Geoffrey C. Kite, and Helen E. Ireland Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 5 . nordurlettone C20H18O4 相似度:61.9% Phytochemistry 1990 29 2671-2673 O-Geranylated and O-prenylated flavonoids from Millettia ferruginea Ermias Dagne,Amha Bekele,Hi Noguchi,Masaki Shibuya,Ushio Sankawa Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 6 . Hippadine C16H9NO3 相似度:61.9% Phytochemistry 1981 20 2003-2007 Alkaloids of Crinum pratense Shibnath Ghosal, Potharaju H. Rao, Dinesh K. Jaiswal, Yatendra Kumar, August W. Frahm Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 7 . 3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-6-(3-methylbut-2-enyl)-4H-chromen-4-one C21H17NO5 相似度:61.9% Bioorganic & Medicinal Chemistry 2010 18 249-266 The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 8 . 3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-4H-chromen-4-one C21H18O5 相似度:61.9% Bioorganic & Medicinal Chemistry 2010 18 249-266 The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 9 . (E)-1-[2-hydroxy-4-(3-methylbut-2-enyloxy)phenyl]-3-(3-hydroxy-4-methoxyphenyl) prop-2-en-1-one C21H22O5 相似度:61.9% Bioorganic & Medicinal Chemistry 2011 19 7711-7719 Structure–activity relationships of chalcone analogs as potential inhibitors of ADP- and collagen-induced platelet aggregation M. Vijaya Bhaskar Reddy, Wei-Jern Tsai, Keduo Qian, Kuo-Hsiung Lee, Tian-Shung Wu Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 10 . conrauinone D C25H26O4 相似度:60% Phytochemistry 1998 47 113-115 Conrauinones C and D, two isoflavones from stem bark of Millettia conraui Victorine Fuendjiep, Augustin E. Nkengfack, Z. Tanee Fomum, B. L. Sondengam, B. Bodo Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 11 . erylatissin B C20H16O5 相似度:57.1% Phytochemistry 2005 66 99-104 Antimicrobial and radical scavenging flavonoids from the stem wood of Erythrina latissima Musa Chacha, Gomotsang Bojase-Moleta, Runner R.T. Majinda Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 12 . hippadine 相似度:57.1% Planta Medica 1981 43 407-409 Phytochemical Investigation of Hippeastrum vittatum Growing in Egypt Part III: Structural Elucidation of Hippadine A. A. Ali, M. K. Mesbah and A. W. Frahm Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 13 . caledonixanthone K C18H16O5 相似度:57.1% Molecules 2002 7 38-50 Thirteen New Xanthone Derivatives from Calophyllum caledonicum (Clusiaceae) Cécile Morel, Anne-Emmanuelle Hay, Marc Litaudon, Thierry Sévenet, Denis Séraphin, Jean Bruneton and Pascal Richomme Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 14 . 1,7-Bis(2-pyridyloxy)naphthalene 相似度:57.1% Molecules 2006 11 684-692 Synthesis and Characterisation of Eight Isomeric Bis(2-pyridyloxy)naphthalenes Brendan J. O’Keefe and Peter J. Steel Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 15 . paeciloxanthone C20H20O4 相似度:57.1% Journal of Asian Natural Products Research 2008 10 133-137 Paeciloxanthone, a new cytotoxic xanthone from the marine mangrove fungus Paecilomyces sp. (Tree1-7) LU WEN, YONG-CHENG LIN, ZHI-GANG SHE, DUN-SHUAI DU,WING-LAI CHAN and ZHONG-HUI ZHENG Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 16 . 7-hydroxy-3',4'-methylenedioxyisoflavone 相似度:57.1% China Journal of Chinese Materia Medica 2009 34 1238-1239 Studies on phenolic compounds from Sophora alopecuroides WANG Guiyun, MA Chao Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 17 . ψ-baptigenin 相似度:57.1% China Journal of Chinese Materia Medica 2008 33 1292-1294 Studies on Chemical Constituents of Oxytropis falcata WANG Dong, YANG Huan, DAI Yan-peng, TONG Li, CAI Bao-chang Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 18 . neobavaisoflavone 相似度:57.1% Phytochemistry 1994 35 521-526 An isoflavanone and a coumestan from Erythrina sigmoidea Augustin E. Nkengfack, Jacques Kouam, Timothee W. Vouffo, Michele Meyer, Michael S. Tempesta, Z.Tanee Fomum Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 19 . griffonianone G C21H16O6 相似度:57.1% Zeitschrift für Naturforschung B 2005 60b 973-977 Isoflavonoids from Seeds of Millettia griffoniana (Bail), 15 Dieudonne Ngamga, Emanuel Yankep, Pierre Tane, Merhatibeb Bezabih, Bonaventure T. Ngadjui, Zacharia T. Fomum, and Berhanu M. Abegaz Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 20 . Isojamaicin C22H18O6 相似度:57.1% Zeitschrift für Naturforschung B 2005 60b 973-977 Isoflavonoids from Seeds of Millettia griffoniana (Bail), 15 Dieudonne Ngamga, Emanuel Yankep, Pierre Tane, Merhatibeb Bezabih, Bonaventure T. Ngadjui, Zacharia T. Fomum, and Berhanu M. Abegaz Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 21 . lycoranine B C18H13NO4 相似度:57.1% Chemical & Pharmaceutical Bulletin 2009 57 610-611 Two New Amaryllidaceae Alkaloids from the Bulbs of Lycoris radiata Lei Wang, Xiao-Qi Zhang, Zhi-Qi Yin, Ying Wang and Wen-Cai Ye Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 22 . maxima isoflavone C C22H50O6 相似度:57.1% Phytochemistry 1984 23 1493-1501 Nine isoflavones from Tephrosia maxima E.Venkata Rao, M.Sree Rama Murthy, Robert S. Ward Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 23 . Pseudobaptigenin 相似度:57.1% Archives of Pharmacal Research 2004 27 589-592 Flavonoids from Spatholobus suberectus Jeong Seon Yoon, Sang Hyun Sung, Jong Hee Park and Young Choong Kim Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 24 . φ-baptigenin 相似度:57.1% Chinese Pharmaceutical Journal 2008 43 1292-1294 Studies on Chemical Constituents of Oxytropis falcata(Ⅱ) WANG Dong, YANG Huan, DAI Yan-peng, TONG Li, CAI Bao-chang Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 25 . compound 4i C20H15O2N 相似度:57.1% Chinese Journal of Medicinal Chemistry 2011 21 208-211 Facile two-step syntheses of 3-aryl-2-substituted benzofurans ZHANG Jing*, WU Yu-hua, DUAN Xin-fang*, LIU Gang Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 26 . 1-(4-Phenyliminomethyl-phenoxymethyl)benzo[h]-chromen-2-one C27H19NO3 相似度:57.1% Archiv der Pharmazie 2010 343 237-247 Synthesis,in-vitro Antimicrobial and Cytotoxic Studies of Novel Azetidinone Derivatives Rangappa S. Keri, Kallappa M. Hosamani, Harisha S. Reddy and Ramya V. Shingalapur Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 27 . N-(4-Chlorophenyl)-2-(2-fluorophenyl)-5-ethyloxazolo[5,4-d]pyrimidin-7-amine C18H12ClFN4O 相似度:57.1% Tetrahedron 2012 68 4248-4251 Facile synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines via copper-catalyzed intramolecular C–O bond formation Original Research Article Dan Xu, Li-Ping Sun, Qi-Dong You Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 28 . 4-Oxo-2-phenyl-7-(m-tolyl)-4H-chromen-5-yl Trifluoromethanesulfonate C23H15F3O5S 相似度:57.1% European Journal of Organic Chemistry 2012 1639-1652 Efficient Synthesis of Arylated Flavones by Site-Selective Suzuki–Miyaura Cross-Coupling Reactions of the Bis(triflate) of 5,7- and 7,8-Dihydroxyflavone Nadi Eleya, Imran Malik, Sebastian Reimann, Kai Wittler, Martin Hein, Tamás Patonay, Alexander Villinger, Ralf Ludwig and Peter Langer Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 29 . 7-[4-(tert-Butyl)phenyl]-4-oxo-2-phenyl-4H-chromen-5-yl Trifluoromethanesulfonate C26H21F3O5S 相似度:57.1% European Journal of Organic Chemistry 2012 1639-1652 Efficient Synthesis of Arylated Flavones by Site-Selective Suzuki–Miyaura Cross-Coupling Reactions of the Bis(triflate) of 5,7- and 7,8-Dihydroxyflavone Nadi Eleya, Imran Malik, Sebastian Reimann, Kai Wittler, Martin Hein, Tamás Patonay, Alexander Villinger, Ralf Ludwig and Peter Langer Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 30 . 2'–hydroxy-2,3-dimethoxy-4'-O-prenylchalcone C22H24O5 相似度:57.1% Bioorganic & Medicinal Chemistry 2010 18 5807-5815 Design, synthesis, and biological evaluation of prenylated chalcones as 5-LOX inhibitors Nimmanapalli P. Reddy, Polamarasetty Aparoy, T. Chandra Mohan Reddy, Chandrani Achari, P. Ramu Sridhar, Pallu Reddanna Structure 13C NMR 碳譜模擬圖 |
4樓2012-07-15 14:04:49
2樓2012-07-15 13:47:13
3樓2012-07-15 14:00:39
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