基本情報
- CAS
191539-54-5- 標準SMILES
COc1cc(O)c(-c2cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2- InChIKey
VSDWMCJBOALEDE-WXFUMESZSA-N- 分子式
- C47H48N2O8
- 平均分子量
- 768.9 g/mol
- 単同位体質量
- 768.34106649
概要
Michellamine F has been reported in Ancistrocladus korupensis with data available.
名称と識別子
- 優先名称
- Michellamine F
- IUPAC
- (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
名称と別名
Michellamine F(1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol(1R,3R)-5-(4-hydroxy-3-(1-hydroxy-4-((3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl)-8-methoxy-6-methylnaphthalen-2-yl)-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diolRefChem:925846191539-54-55,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)(3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol),(1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol),(3R,5R,1'R,3'R,5'S)5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)[3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol],[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol],(3R,5R,1'R,3'R,5'S)CHEMBL501944SCHEMBL29456988NSC692906NSC-692906(1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methyl-2-naphthyl]-5-methoxy-7-methyl-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
物性
構造計算による物性
- XLogP
- 8.5
- 極性表面積
- 153 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,420
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…