基本情報
- CAS
659747-28-1- 標準SMILES
CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C- InChIKey
HAHRYXGQWSJKPI-UHFFFAOYSA-N- 分子式
- C28H32O6
- 平均分子量
- 464.5 g/mol
- 単同位体質量
- 464.21988874
概要
1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4, 6 and 8 and prenyl groups at positions 1, 2 and 5. Isolated from Garcinia xanthochymus, it exhibits enhancement of nerve growth factor-mediated neurite outgrowth in PC12D cells. It has a role as a metabolite and a nerve growth factor stimulator. It is a member of phenols and a member of xanthones.
名称と識別子
- 優先名称
- 1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone
- IUPAC
- 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-enyl)xanthen-9-one
- 現地名
- イソガルシニアキサントンE
- 英語名
- Isogarciniaxanthone E
- 分子式
- C28H32O6
- 分子量
- 464.55
名称と別名
1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone3,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-enyl)xanthen-9-oneCHEBI:66213RefChem:722641,3,5,6-TH-MB-XIsogarciniaxanthone E659747-28-13,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-en-1-yl)-9H-xanthen-9-one9H-Xanthen-9-one, 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methyl-2-butenyl)- (9CI); 3,4,6,8-Tetrahydroxy-1,2,5-tris(3-methyl-2-buten-1-yl)-9H-xanthen-9-one; 1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methylbut-2-enyl)xanthoneorb1682347CHEMBL4205634SCHEMBL15169342
名称をさらに表示
イソガルシニアキサントンE9H-Xanthen-9-one, 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methyl-2-buten-1-yl)-
TN4293AKOS032948663FI42686FS-8930DA-74557Q271347511,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-buten-yl)xanthone
データベース識別子
物性
構造計算による物性
- XLogP
- 7.9
- 極性表面積
- 107 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 817
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