モナクチン
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
基本情報
- CAS
7182-54-9- 標準SMILES
CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1- InChIKey
YPUPRVWRYDPGCW-IDBRQATOSA-N- 分子式
- C41H66O12
- 平均分子量
- 751 g/mol
- 単同位体質量
- 750.45542754
名称と識別子
- 優先名称
- (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
- IUPAC
- (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
- 現地名
- モナクチン
- 英語名
- monactin
- 分子式
- C41H66O12
- 分子量
- 750.96
名称と別名
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetroneMLS003559974orb1701910CHEMBL2361391AKOS040747178NCGC00384608-01SMR001628009T25827Monactin (NCGC00384608-01_C41H66O12)(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-エチル-2,11,14,20,23,29,32-ヘプタメチル-4,13,22,31,37,38,39,40-オクタオキサペンタシクロ[32.2.1.17,10.116,19.125,28]テトラコンタン-3,12,21,30-テトラオン5-デメチル-5-エチルノナクチン
名称をさらに表示
モナクチンmonactin5-deMethyl-5-ethylnonactin, AKD 1B4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 5-ethyl-2,11,14,20,23,29,32-heptamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-
物性
構造計算による物性
- XLogP
- 7.2
- 極性表面積
- 142 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 12
- 回転可能結合数
- 1
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,240
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- 外見
- A solid
化学と産業
応用分野
使用Monactin is a member of the macrotetrolide complex produced by a range of Streptomyces species. Monactin has not previously been available for intensive investigation. Early literature reported that the related dinactin is a monovalent cation ionophore with high selectivity for ammonium and potassium. Monactin inhibits T-cell proliferation induced by IL-2 and cytokine production at nanomolar levels for IL-2, IL-4, IL-5 and IFN-γ.
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