4-Hydroxyalternariol
Grundinformationen
- CAS
959417-21-1- Standard-SMILES
Cc1cc(O)c(O)c2oc(=O)c3c(O)cc(O)cc3c12- InChIKey
LZRNPNMGYBWDKK-UHFFFAOYSA-N- Summenformel
- C14H10O6
- Durchschnittliche Molmasse
- 274,22 g/mol
Überblick
4-Hydroxyalternariol is a hydroxycoumarin.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxyalternariol
- IUPAC
- 3,4,7,9-tetrahydroxy-1-methylbenzo[c]chromen-6-one
- Englischer Name
- 4-Hydroxyalternariol
- Summenformel
- C14H10O6
- Molmasse
- 274.23
Namen und Synonyme
4-Hydroxyalternariol959417-21-14-Hydroxy Alternariol3,4,7,9-Tetrahydroxy-1-methylbenzo[c]chromen-6-oneHydroxyalternariol, 4-3,4,7,9-tetrahydroxy-1-methyl-6H-benzo[c]chromen-6-oneSCHEMBL28899964CHEBI:2015323,4,7,9-tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-oneMFCD28898830DA-70097PD076450
Weitere Namen anzeigen
Alternariol Impurity 186H-Dibenzo[b,d]pyran-6-one, 3,4,7,9-tetrahydroxy-1-methyl-
HY-124002CS-00838393,4,7,9-tetrahydroxy-1-methyl-benzo[c]chromen-6-one
Datenbank-Bezeichner
- CAS
959417-21-1- ChEBI
CHEBI:201532
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 399
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- Aggregatzustand
- A solid
Chemie und Industrie
Anwendungen
Beschreibung4-hydroxy Alternariol is a metabolite of the mycotoxin alternariol formed through cytochrome P450 (CYP450) metabolism. It increases reactive oxygen species (ROS) in KYSE510 human esophageal cells by 701% compared to control. 4-hydroxy Alternariol increases topoisomerase IIβ-DNA complexes by 208% compared to control in an ICE assay but does not induce DNA damage in KYSE510 cells. It completely inhibits topoisomerase IIα activity at a concentration of 25 μM under cell-free conditions.
Verwenden4-Hydroxyalternariol is the fully demethylated tetraphenol analogue of the benzopyranone graphislactones. Hydroxyalternariol was isolated as a major co-metabolite of a graphislactone A-producing fungus. Hydroxyalternariol has not previously been available for study and no bioactivity has been reported to date.
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