Pleosporone
Grundinformationen
- Standard-SMILES
Cc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@@H](O)[C@@H](O)C1- InChIKey
YUSJPHSHLVVZRA-DYQSUWPFSA-N- Summenformel
- C15H14O6
- Durchschnittliche Molmasse
- 290,27 g/mol
- Monoisotopische Masse
- 290,07903817
Überblick
Pleosporone is a carbotricyclic compound that is 1,2,3,4-tetrahydroanthracene-9,10-dione substituted by hydroxy groups at positions 1, 2, 3 and 8 and a methyl group at position 6. It is isolated from a pleosporalean ascomycete (MF7028), an endophytic fungus from Anthyllis vulneraria and exhibits modest antibacterial activity against a number of bacterial strains. Additionally it exhibits cytotoxicity against HeLa cells. It has a role as a metabolite, an antibacterial agent and an antineoplastic agent. It is a member of p-quinones, a member of phenols, a secondary alcohol and a carbotricyclic compound.
Namen und Bezeichner
- Bevorzugter Name
- Pleosporone
- IUPAC
- (1R,2S,3S)-1,2,3,8-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione
Namen und Synonyme
PLEOSPORONECHEBI:66765(1R,2S,3S)-1,2,3,8-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracene-9,10-dioneRefChem:1748751154523-65-5CHEMBL492618SCHEMBL32674595Q27135393
Datenbank-Bezeichner
- ChEMBL
CHEMBL492618- ChEBI
CHEBI:66765- Nikkaji
- J2.627.105C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 115 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 524
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