基本情報
- CAS
529-39-5- 標準SMILES
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O- InChIKey
NEPMMBQHELYZIW-YMTXFHFDSA-N- 分子式
- C22H24O10
- 平均分子量
- 448.4 g/mol
- 単同位体質量
- 448.13694696
概要
Sakuranin is a flavanone glycoside that is sakuranetin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a plant metabolite. It is a member of 4'-hydroxyflavanones, a monomethoxyflavanone, a monohydroxyflavanone and a flavanone glycoside. It is functionally related to a sakuranetin.
名称と識別子
- 優先名称
- Sakuranin
- IUPAC
- (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
名称と別名
SAKURANIN529-39-5NSC 40730859YX7QWM4SCHEBI:81054NSC-407308(2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one(2S)-2-(4-hydroxyphenyl)-7-methoxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-oneRefChem:180868NSC407308(S)-5-(beta-D-Glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one(2S)-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside
名称をさらに表示
4H-1-Benzopyran-4-one, 5-(.beta.-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-UNII-59YX7QWM4SCHEMBL495847SCHEMBL29420388DTXSID209673634H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (S)-C17391SAKURANETIN, 5-.BETA.-D-GLUCOPYRANOSIDE
データベース識別子
- CAS
529-39-5- PubChem CID
- 73607
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 155 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 10
- 回転可能結合数
- 5
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 638
関連反応
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