基本情報
- CAS
68454-15-9- 標準SMILES
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(C)=O- InChIKey
BENRIKOGQFXSRY-UHFFFAOYSA-N- 分子式
- C14H12O6
- 平均分子量
- 276.24 g/mol
- 単同位体質量
- 276.0633881
概要
7,8-diacetoxy-4-methylcoumarin is a coumarin substituted by a methyl group at position 4 and by acetyloxy groups at positions 7 and 8. It exhibits strong antioxidant and radical scavenging properties. It has a role as a radical scavenger and a pro-angiogenic agent. It is a member of coumarins, an acetate ester and a diester. It is functionally related to a 7,8-dihydroxy-4-methyl-1-benzopyran-2-one.
名称と識別子
- 優先名称
- 7,8-Diacetoxy-4-methylcoumarin
- IUPAC
- (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate
名称と別名
7,8-diacetoxy-4-methylcoumarinDA-methylcoumarinRefChem:91413768454-15-9(8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetateNSC6887942H-1-Benzopyran-2-one, 7,8-bis(acetyloxy)-4-methyl-4-Methyl-2-oxo-2H-chromene-7,8-diyl diacetate4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl diacetateDAMTCNSC-688794Oprea1_472625
名称をさらに表示
CHEMBL86633SCHEMBL30528747-(Acetyloxy)-4-methyl-2-oxo-2H-chromen-8-yl acetateDTXSID70327812CHEBI:1931397,8-dihydroxy-4-methylcoumarin diacetateNCI60_031992(8-acetoxy-4-methyl-2-oxo-chromen-7-yl) acetate
データベース識別子
- CAS
68454-15-9- PubChem CID
- 390798
- DTXSID
DTXSID70327812- ChEMBL
CHEMBL86633- ChEBI
CHEBI:193139- Nikkaji
- J1.358.715I
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 466
関連反応
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