Topopyrone C
基本情報
- 標準SMILES
Cc1cc(=O)c2c(O)cc3c(c2o1)C(=O)c1c(O)cc(O)cc1C3=O- InChIKey
AWDAPFGGFWZKGB-UHFFFAOYSA-N- 分子式
- C18H10O7
- 平均分子量
- 338.3 g/mol
- 単同位体質量
- 338.04265265
概要
Topopyrone C is a naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from fungal strains Phoma and Penicillium and acts as an inhibitor of the enzyme topoisomerase I. It has a role as an antiviral agent, an antimicrobial agent, an antineoplastic agent, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and a Penicillium metabolite. It is a member of p-quinones, a member of phenols and a naphthochromene.
名称と識別子
- 優先名称
- Topopyrone C
- IUPAC
- 5,9,11-trihydroxy-2-methylnaphtho[3,2-h]chromene-4,7,12-trione
名称と別名
TOPOPYRONE CCHEBI:66254DTXSID7010454765,9,11-trihydroxy-2-methyl-4H-naphtho[2,3-h]chromene-4,7,12-trione5,9,11-trihydroxy-2-methylnaphtho(3,2-h)chromene-4,7,12-trione5,9,11-trihydroxy-2-methylnaphtho[3,2-h]chromene-4,7,12-trione5,9,11-trihydroxy-2-methyl-4H-naphtho(2,3-h)chromene-4,7,12-trioneRefChem:190416DTXCID101527410308368-85-6CHEMBL400146SCHEMBL16226718
名称をさらに表示
BDBM50378910Q15427875
データベース識別子
- PubChem CID
- 9884262
- DTXSID
DTXSID701045476- ChEMBL
CHEMBL400146- ChEBI
CHEBI:66254- Nikkaji
- J1.434.918I
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 121 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
- 0
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 668
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds that inhibit the activity of DNA TOPOISOMERASE I.
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