基本情報
- CAS
184587-72-2- 標準SMILES
COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CC(O)C(C)(C)O4- InChIKey
KCMPFWGUVNEDHW-UHFFFAOYSA-N- 分子式
- C24H26O7
- 平均分子量
- 426.5 g/mol
- 単同位体質量
- 426.16785316
概要
Mangostanol has been reported in Garcinia mangostana and Garcinia with data available.
名称と識別子
- 優先名称
- Mangostanol
- IUPAC
- 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
- 英語名
- Mangostanol
- 分子式
- C24H26O7
- 分子量
- 426.46
名称と別名
MANGOSTANOL184587-72-2(+)-Mangostanol3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano(3,2-b)xanthen-6-oneRefChem:155634CHEMBL12242502H,6H-Pyrano[3,2-b]xanthen-6-one, 3,4-dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-, (+)- (9CI); (+)-3,4-Dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one; (+)-Mangostanol3,5,9-Trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-oneorb1682163SCHEMBL30662541
名称をさらに表示
3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydropyrano[3,2-b]xanthen-6(2H)-one2H,6H-Pyrano[3,2-b]xanthen-6-one,3,4-dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-,(+)-
DTXSID301318291HY-N3324BDBM50325676TN4492AKOS032961774DA-75301FS-10507CS-0023896
データベース識別子
- CAS
184587-72-2- PubChem CID
- 10048103
- DTXSID
DTXSID301318291- ChEMBL
CHEMBL1224250- Nikkaji
- J789.599B
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 715
物理化学的性質
- 融点
- 164 · 164-166 °C
- 沸点
- 657.1 · 657.1±55.0 °C(Predicted)
- 比重(密度)
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 6.89 · 6.89±0.60(Predicted)
化学と産業
薬理情報
Cellular LocationsMembrane
応用分野
説明Mangostanol, also known as 3-isomangostin, belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. Mangostanol is considered to be a practically insoluble (in water) and relatively neutral molecule. Within the cell, mangostanol is primarily located in the membrane (predicted from logP). Outside of the human body, mangostanol can be found in fruits and purple mangosteen. This makes mangostanol a potential biomarker for the consumption of these food products.
サプライヤー
読み込み中…
公開中の見積依頼
読み込み中…
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…