基本情報
- CAS
65195-51-9- 標準SMILES
CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2- InChIKey
AFSHKCWTGFDXJR-SQOHEDJBSA-N- 分子式
- C49H74O14
- 平均分子量
- 887.1 g/mol
- 単同位体質量
- 886.50785703
概要
avermectin A1a has been reported in Streptomyces avermitilis with data available.
名称と識別子
- 優先名称
- Avermectin A1a
- IUPAC
- (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
名称と別名
Avermectin A1aYRI17ZJ0WTANTIBIOTIC C-076A1AAntibiotic C 076A(sub 1a)65195-51-9DTXSID8058613L-676891RefChem:53351Antibiotic C 076A1aUNII-YRI17ZJ0WTSCHEMBL1681255C49H74O14
名称をさらに表示
NS00076439
データベース識別子
- CAS
65195-51-9- PubChem CID
- 9832706
- DTXSID
DTXSID8058613- UNII
- YRI17ZJ0WT
- Nikkaji
- J91.849K
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 159 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 14
- 回転可能結合数
- 9
- 重原子数
- 63
- 形式電荷
- 0
- 複雑度
- 1,740
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Substances that are destructive to protozoans.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Drugs that bind to and activate excitatory amino acid receptors.
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