Crystallography Open Database

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1503653 CIFC26 H26 F2 N6 O5P -19.2189; 12.5924; 14.1
64.634; 81.467; 69.027
1381Jiang, Bo; Cao, Long-Ji; Tu, Shu-Jiang; Zheng, Wen-Rui; Yu, Hai-Zhu
Highly Diastereoselective Domino Synthesis of 6-Spirosubstituted Pyrido[2,3-d]pyrimidine Derivatives in Water
Journal of Combinatorial Chemistry, 2009, 11, 612
1503654 CIFC27 H17 F N4P 1 21/n 110.721; 14.43; 14.681
90; 91.134; 90
2270.8Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang
Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids
Journal of Combinatorial Chemistry, 2009, 11, 1011
1503655 CIFC24 H27 N5 O3C 1 2/c 130.9404; 9.1578; 16.8812
90; 99.108; 90
4722.91Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang
Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids
Journal of Combinatorial Chemistry, 2009, 11, 1011
1503656 CIFC21 H19 Cl2 N5 O2P 1 21/c 116.7648; 9.245; 15.4532
90; 114.316; 90
2182.63Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang
Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids
Journal of Combinatorial Chemistry, 2009, 11, 1011
1503657 CIFC28 H19 Cl N4P 1 21/c 19.1603; 18.484; 14.556
90; 104.556; 90
2385.5Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang
Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids
Journal of Combinatorial Chemistry, 2009, 11, 1011
1503658 CIFC23 H15 N3 SP -111.2726; 11.8903; 14.5544
86.571; 88.755; 81.249
1924.5Jiang, Bo; Hao, Wen-Juan; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang
Diversity-Oriented Synthesis of Kröhnke Pyridines
Journal of Combinatorial Chemistry, 2009, 11, 846
1503659 CIFC21 H24 N4 O2P b c a8.7519; 16.8317; 25.6881
90; 90; 90
3784.1Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin
Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones
Journal of Combinatorial Chemistry, 2009, 11, 1050
1503660 CIFC10 H10 N4 O3P b c a8.973; 8.3478; 28.1826
90; 90; 90
2111Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin
Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones
Journal of Combinatorial Chemistry, 2009, 11, 1050
1503661 CIFC23 H20 N2 O5 SP 1 21/c 110.3181; 18.679; 11.1566
90; 105.516; 90
2071.87Shaabani, Ahmad; Ghadari, Rahim; Ghasemi, Sabrieh; Pedarpour, Milad; Rezayan, Ali Hossein; Sarvary, Afshin; Ng, Seik Weng
Novel One-Pot Three- and Pseudo-Five-Component Reactions: Synthesis of Functionalized Benzo[g]- and Dihydropyrano[2,3-g]chromene Derivatives
Journal of Combinatorial Chemistry, 2009, 11, 956
1503662 CIFC14 H13 N O3 S2P c a 2113.516; 9.108; 22.558
90; 90; 90
2777Agrawal, Arpita; de Oliveira, César Augusto F; Cheng, Yuhui; Jacobsen, Jennifer A.; McCammon, J. Andrew; Cohen, Seth M.
Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor.
Journal of medicinal chemistry, 2009, 52, 1063-1074
1503663 CIFC22 H25 N3 O3P -18.3877; 8.4043; 15.1821
100.357; 103.537; 101.37
991Diaz, Philippe; Phatak, Sharangdhar S.; Xu, Jijun; Astruc-Diaz, Fanny; Cavasotto, Claudio N.; Naguib, Mohamed
6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction.
Journal of medicinal chemistry, 2009, 52, 433-444
1503664 CIFC17 H26 N2 O2P 1 21 16.6457; 10.369; 11.3174
90; 92.645; 90
779.04Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.
Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.
Journal of medicinal chemistry, 2009, 52, 3591-3595
1503665 CIFC14 H24 N2 O2P 21 21 2110.2116; 10.8607; 13.1256
90; 90; 90
1455.7Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.
Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.
Journal of medicinal chemistry, 2009, 52, 3591-3595
1503666 CIFC11 H20 N2 O2P 1 21 111.4279; 9.9784; 16.245
90; 93.967; 90
1848.01Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.
Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.
Journal of medicinal chemistry, 2009, 52, 3591-3595
1503667 CIFC18 H20 O5P 1 21/c 110.834; 11.623; 13.511
90; 104; 90
1650.8Messaoudi, Samir; Tréguier, Bret; Hamze, Abdallah; Provot, Olivier; Peyrat, Jean-François; De Losada, Jordi Rodrigo; Liu, Jian-Miao; Bignon, Jérôme; Wdzieczak-Bakala, Joanna; Thoret, Sylviane; Dubois, Joëlle; Brion, Jean-Daniel; Alami, Mouâd
Isocombretastatins a versus combretastatins a: the forgotten isoCA-4 isomer as a highly promising cytotoxic and antitubulin agent.
Journal of medicinal chemistry, 2009, 52, 4538-4542
1503668 CIFC21 H24 O6P 1 21 19.7642; 8.0842; 11.694
90; 98.007; 90
914.1Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao
Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.
Journal of medicinal chemistry, 2009, 52, 5115-5123
1503669 CIFC21 H24 O8 SP 21 21 219.8274; 11.5318; 17.6885
90; 90; 90
2004.6Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao
Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.
Journal of medicinal chemistry, 2009, 52, 5115-5123
1503670 CIFC9 H12 N4 SP -17.3747; 7.4532; 9.6324
97.192; 109.63; 95.02
489.97Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.
Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.
Journal of medicinal chemistry, 2009, 52, 5032-5043
1503671 CIFC16 H22 Ga N11 O4 S2P -19.3441; 9.7491; 12.9501
102.437; 95.239; 96.569
1136.26Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.
Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.
Journal of medicinal chemistry, 2009, 52, 5032-5043
1503672 CIFC7 H9 N5 SP n a 2118.5732; 5.5273; 17.2799
90; 90; 90
1773.95Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.
Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.
Journal of medicinal chemistry, 2009, 52, 5032-5043
1503673 CIFC28 H46 Fe2 N22 O13 S4C 1 2/c 19.2033; 23.0998; 21.2104
90; 92.473; 90
4505Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.
Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.
Journal of medicinal chemistry, 2009, 52, 5032-5043
1503674 CIFC48 H44.5 N4 O20.25 S8P 1 21/n 112.6727; 30.0947; 13.5037
90; 96.832; 90
5113.5Wang, Kui; Guo, Dong-Sheng; Zhang, Hong-Qing; Li, Dong; Zheng, Xi-Long; Liu, Yu
Highly effective binding of viologens by p-sulfonatocalixarenes for the treatment of viologen poisoning.
Journal of medicinal chemistry, 2009, 52, 6402-6412
1503675 CIFC52 H65 N4 O26.5 S4P -113.699; 13.796; 15.189
88.402; 77.838; 81.671
2776.6Wang, Kui; Guo, Dong-Sheng; Zhang, Hong-Qing; Li, Dong; Zheng, Xi-Long; Liu, Yu
Highly effective binding of viologens by p-sulfonatocalixarenes for the treatment of viologen poisoning.
Journal of medicinal chemistry, 2009, 52, 6402-6412
1503676 CIFC25 H30 N2 Ni OP 1 21/c 115.7604; 8.4707; 16.8054
90; 96.515; 90
2229.1Guironnet, Damien; Göttker-Schnetmann, Inigo; Mecking, Stefan
Catalytic Polymerization in Dense CO2to Controlled Microstructure Polyethylenes
Macromolecules, 2009, 42, 8157
1503677 CIFC17 H17 N O6P 18.163; 8.22; 11.652
100.21; 101.26; 91.22
753.4Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías
Pancratium canariense as an important source of amaryllidaceae alkaloids.
Journal of natural products, 2009, 72, 112-116
1503678 CIFC17 H19 N O4P 21 21 2110.074; 10.771; 13.494
90; 90; 90
1464.2Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías
Pancratium canariense as an important source of amaryllidaceae alkaloids.
Journal of natural products, 2009, 72, 112-116
1503679 CIFC20 H36 O4P 1 21 16.8213; 12.964; 11.3897
90; 104.69; 90
974.283Stavri, Michael; Paton, Alan; Skelton, Brian W.; Gibbons, Simon
Antibacterial diterpenes from Plectranthus ernstii.
Journal of natural products, 2009, 72, 1191-1194
1503680 CIFC40 H38 N4 O5P 1 21 112.827; 20.944; 13.013
90; 90.26; 90
3495.9de Oliveira, Pollyanna Laurindo; Tanaka, Clara M. A.; Kato, Lucília; da Silva, Cleuza C.; Medina, Rebeca Previate; Moraes, Aline P.; Sabino, José R; de Oliveira, Cecília M A
Amaiouine, a cyclopeptide alkaloid from the leaves of Amaioua guianensis.
Journal of natural products, 2009, 72, 1195-1197
1503681 CIFC13 H11 N3 O5 S2P 1 21 17.512; 6.6024; 15.97
90; 100.287; 90
779.3Park, Hyun Bong; Kwon, Hak Cheol; Lee, Chang-Ho; Yang, Hyun Ok
Glionitrin A, an antibiotic-antitumor metabolite derived from competitive interaction between abandoned mine microbes.
Journal of natural products, 2009, 72, 248-252
1503682 CIFC10 H3 Cl6 N OP 1 21 18.74; 7.758; 9.939
90; 99.24; 90
665.2Hopp, D. Craig; Rhea, Joshua; Jacobsen, Daniel; Romari, Khadidja; Smith, Chris; Rabenstein, John; Irigoyen, Macarena; Clarke, Midori; Francis, Linda; Luche, Michele; Carr, Grant J.; Mocek, Ulla
Neopyrrolomycins with broad spectrum antibacterial activity.
Journal of natural products, 2009, 72, 276-279
1503683 CIFC32 H40 O10P 1 21 116.991; 9.914; 19.319
90; 110.71; 90
3043.98Fang, Xin; Di, Ying-Tong; Li, Chun-Shun; Geng, Zhao-Liang; Zhang, Zhen; Zhang, Yu; Lu, Yang; Zheng, Qi-Tai; Yang, Shi-Yin; Hao, Xiao-Jiang
Tetranortriterpenoids from the Leaves of Cipadessa cinerascens.
Journal of natural products, 2009, 72, 714-718
1503684 CIFC30 H48 O4P 1 21 17.691; 10.688; 16.499
90; 99.96; 90
1335.8Sang, Yi Shu; Zhou, Chun Yan; Lu, Ai Jun; Yin, Xiao Jin; Min, Zhi Da; Tan, Ren Xiang
Protolimonoids from Melia toosendan.
Journal of natural products, 2009, 72, 917-920
1503685 CIFC36 H54 N2 O6P 16.778; 7.8277; 16.835
81.293; 87.547; 72.743
843.2Yan, Yu-Xin; Hu, Xiao-Dong; Chen, Jian-Chao; Sun, Yun; Zhang, Xian-Min; Qing, Chen; Qiu, Ming-Hua
Cytotoxic triterpenoid alkaloids from Buxus microphylla.
Journal of natural products, 2009, 72, 308-311
1503686 CIFC15 H26 O2P 21 21 2111.605; 12.335; 20.051
90; 90; 90
2870Ma, Wen-Hui; Huang, Hai; Zhou, Pei; Chen, Dao-Feng
Schisanwilsonenes A-C, anti-HBV Carotane sesquiterpenoids from the fruits of Schisandra wilsoniana.
Journal of natural products, 2009, 72, 676-678
1503687 CIFC30 H46 O4P 21 21 217.222; 15.037; 24.038
90; 90; 90
2610Li, Yong-Li; Yang, Xian-Wen; Li, Su-Mei; Shen, Yun-Heng; Zeng, Hua-Wu; Liu, Xiao-Hua; Tang, Jian; Zhang, Wei-Dong
Terpenoid constituents of Abies chensiensis with potential anti-inflammatory activity.
Journal of natural products, 2009, 72, 1065-1068
1503688 CIFC27 H33 Br O4P 21 21 2110.04377; 12.165; 19.2375
90; 90; 90
2350.49Matsuno, Yosuke; Deguchi, Jun; Hosoya, Takahiro; Hirasawa, Yusuke; Hirobe, Chieko; Shiro, Motoo; Morita, Hiroshi
Sucutiniranes C-F, cassane-type diterpenes from Bowdichia nitida.
Journal of natural products, 2009, 72, 976-979
1503689 CIFC12 H18 N0 O7P 21 21 215.481; 9.784; 24.207
90; 90; 90
1298.1Yu, Yong-Ming; Yang, Jun-Shan; Peng, Chao-Zhong; Caer, Valerie; Cong, Pu-Zhu; Zou, Zhong-Mei; Lu, Yang; Yang, Shi-Ying; Gu, Yu-Cheng
Lactones from Angiopteris caudatiformis.
Journal of natural products, 2009, 72, 921-924
1503690 CIFC37 H37 F3 O9P 21 21 218.4483; 15.923; 23.947
90; 90; 90
3221.4Li, Yan; Ye, Dezan; Chen, Xulin; Lu, Xinhua; Shao, Zongze; Zhang, Hua; Che, Yongsheng
Breviane spiroditerpenoids from an extreme-tolerant Penicillium sp. isolated from a deep sea sediment sample.
Journal of natural products, 2009, 72, 912-916
1503691 CIFC21 H34 O4C 1 2 117.854; 7.164; 16.135
90; 107.171; 90
1971.8Chen, Jian-Jun; Li, Zheng-Ming; Gao, Kun; Chang, Jin; Yao, Xiao-Jun
Vladimuliecins A and B: cytotoxic pentacyclic pregnanols from Vladimiria muliensis.
Journal of natural products, 2009, 72, 1128-1132
1503692 CIFC31 H46 O5P 17.3556; 7.4296; 14.2899
81.762; 82.937; 65.002
698.77Nuanyai, Thanesuan; Sappapan, Reungrit; Teerawatananond, Thapong; Muangsin, Nongnuj; Pudhom, Khanitha
Cytotoxic 3,4-seco-cycloartane triterpenes from Gardenia sootepensis.
Journal of natural products, 2009, 72, 1161-1164
1503693 CIFC11 H20 O2P 1 21 16.1288; 7.166; 12.816
90; 102.805; 90
548.9Jiang, Meng-Yuan; Zhang, Ling; Liu, Rong; Dong, Ze-Jun; Liu, Ji-Kai
Speciosins A-K, oxygenated cyclohexanoids from the basidiomycete Hexagonia speciosa.
Journal of natural products, 2009, 72, 1405-1409
1503694 CIFC30 H48 O4P 16.943; 7.2493; 15.2539
81.411; 80.394; 61.762
664.71Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping
24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.
Journal of natural products, 2009, 72, 1410-1413
1503695 CIFC31 H50 O4C 1 2 112.3341; 7.3877; 30.799
90; 97.604; 90
2781.7Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping
24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.
Journal of natural products, 2009, 72, 1410-1413
1503696 CIFC32 H52 O5 SP 21 21 217.2899; 11.7817; 36.3289
90; 90; 90
3120.2Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping
24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.
Journal of natural products, 2009, 72, 1410-1413
1503697 CIFC30 H46 O3P 1 21 112.37; 7.2582; 29.428
90; 98.411; 90
2613.7Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping
24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.
Journal of natural products, 2009, 72, 1410-1413
1503698 CIFC26 H27 O6P 1 21/c 16.839; 16.92; 19.998
90; 94.559; 90
2306.8Pettit, George R.; Melody, Noeleen; Thornhill, Andrew; Knight, John C.; Groy, Thomas L.; Herald, Cherry L.
Antineoplastic agents. 579. Synthesis and cancer cell growth evaluation of E-stilstatin 3: a resveratrol structural modification.
Journal of natural products, 2009, 72, 1637-1642
1503699 CIFC26 H36 O9P 21 21 2111.856; 13.164; 17.373
90; 90; 90
2711.4Lin, Yu-Chi; Abd El-Razek, Mohamed H; Hwang, Tsong-Long; Chiang, Michael Y.; Kuo, Yao-Haur; Dai, Chang-Feng; Shen, Ya-Ching
Asterolaurins A-F, xenicane diterpenoids from the Taiwanese soft coral Asterospicularia laurae.
Journal of natural products, 2009, 72, 1911-1916
1503700 CIFC45 H33 Cl3 O12P -110.8711; 13.8138; 14.0844
112.142; 90.894; 94.006
1952.3Lear, Martin J.; Simon, Oliver; Foley, Timothy L.; Burkart, Michael D.; Baiga, Thomas J.; Noel, Joseph P.; DiPasquale, Antonio G.; Rheingold, Arnold L.; La Clair, James J.
Laetirobin from the parasitic growth of Laetiporus sulphureus on Robinia pseudoacacia.
Journal of natural products, 2009, 72, 1980-1987
1503701 CIFC29 H38 O12P 21 21 2112.406; 13.593; 16.49
90; 90; 90
2780.8Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong
Bioactive Nortriterpenoids from Schisandra grandiflora.
Journal of natural products, 2009, 72, 1678-1681
1503702 CIFC29 H36 O11P 21 21 2110.825; 11.335; 22.723
90; 90; 90
2788.1Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong
Bioactive Nortriterpenoids from Schisandra grandiflora.
Journal of natural products, 2009, 72, 1678-1681

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