Topopyrone C
Grundinformationen
- Standard-SMILES
Cc1cc(=O)c2c(O)cc3c(c2o1)C(=O)c1c(O)cc(O)cc1C3=O- InChIKey
AWDAPFGGFWZKGB-UHFFFAOYSA-N- Summenformel
- C18H10O7
- Durchschnittliche Molmasse
- 338,3 g/mol
- Monoisotopische Masse
- 338,04265265
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Topopyrone C
- IUPAC
- 5,9,11-trihydroxy-2-methylnaphtho[3,2-h]chromene-4,7,12-trione
Namen und Synonyme
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
Weitere Namen anzeigen
BDBM50378910Q15427875
Datenbank-Bezeichner
- PubChem CID
- 9884262
- DTXSID
DTXSID701045476- ChEMBL
CHEMBL400146- ChEBI
CHEBI:66254- Nikkaji
- J1.434.918I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 121 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 668
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds that inhibit the activity of DNA TOPOISOMERASE I.
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