基本情報
- CAS
137793-81-8- 標準SMILES
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)NC5C)c4cc(C)cc(OC)c4c3O)c(O)c12- InChIKey
GMLBVLXDRNJFGR-UHFFFAOYSA-N- 分子式
- C46H48N2O8
- 平均分子量
- 756.9 g/mol
- 単同位体質量
- 756.34106649
概要
Michellamine has been reported in Triphyophyllum peltatum, Ancistrocladus abbreviatus, and other organisms with data available.
名称と識別子
- 優先名称
- 5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
- IUPAC
- 5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
- 英語名
- 5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl-naphthalen-2-yl]-4-hydroxy-5-methoxy-7-methyl-naphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
- 分子式
- C46H48N2O8
- 分子量
- 0
名称と別名
5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diolMichellamineNSC 6508986,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)bis(1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,1'R,3R,3'R,5R,5'S)-SCHEMBL6361270(1R,3R,5P,1'''R,3'''R,5'''P)-Michellamine A(1R,3R,5S,1'''R,3'''R,5'''S)-Michellamine ASCHEMBL29399508DTXSID509298985-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol)5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-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
- 8.3
- 極性表面積
- 164 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 10
- 回転可能結合数
- 5
- 重原子数
- 56
- 形式電荷
- 0
- 複雑度
- 1,240
化学と産業
補足説明
定義ChEBI: A dimeric isoquinoline alkaloid isolated from Ancistrocladus abbreviatus and has been shown to exhibit anti-HIV activity.
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化合物ノート
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