Avenacein Y
Grundinformationen
- CAS
93752-78-4- Standard-SMILES
COC(=O)c1oc(=O)c2c(O)c3c(=O)cc(C)oc3cc2c1O- InChIKey
JSQAILNRMPHAGO-UHFFFAOYSA-N- Summenformel
- C15H10O8
- Durchschnittliche Molmasse
- 318,23 g/mol
- Monoisotopische Masse
- 318,03756727
Überblick
Lateropyrone is a member of chromenes.
Namen und Bezeichner
- Bevorzugter Name
- Avenacein Y
- IUPAC
- methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate
- Englischer Name
- avenacein Y
- Summenformel
- C15H10O8
- Molmasse
- 318.236
Namen und Synonyme
Avenacein Y93752-78-4DTXSID30239563RefChem:916536DTXCID80162054Lateropyronemethyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylateMethyl 5,9-dihydroxy-2-methyl-4,6-dioxo-4H,6H-pyrano[3,4-g]chromene-8-carboxylate4H,6H-Benzo(1,2-b:4,5-c')dipyran-8-carboxylic acid, 5-hydroxy-9-methoxy-2-methyl-4,6-dioxo-FM3CDQ49WSorb1698270CHEMBL3086843
Weitere Namen anzeigen
Avenacein Y, Antibiotic Y5,9-Dihydroxy-2-methyl-4,6-dioxo-4H,6H-benzo[1,2-b:4,5-c']dipyran-8-carboxylic acid methyl ester4H,6H-Pyrano[3',4':4,5]benzo[1,2-b]pyran-8-carboxylic acid, 5,9-dihydroxy-2-methyl-4,6-dioxo-, methyl ester93752-78-4 Avenacein Y 4H,6H-Benzo(1,2-b:4,5-c')dipyran-8-carboxylic acid, 5-hydroxy-9-methoxy-2-methyl-4,6-dioxo-93752-78-4 Avenacein Y 4H,6H-Benzo(1,2-b:4,5-c')dipyran-8-carboxylic acid, 5-hydroxy-9-methoxy-2-methyl-4,6-dioxo-
CHEBI:201439MFCD14635387AKOS040750644CS-0105968T30221Methyl 5,9-dihydroxy-2-methyl-4,6-dioxo-4H,6H-benzo[1,2-b:4,5-c']dipyran-8-carboxylatemethyl 5,9-dihydroxy-2-methyl-4,6-dioxo-pyrano[3,4-g]chromene-8-carboxylate4H,6H-Benzo[1,2-b:4,5-c']dipyran-8-carboxylic acid, 5,9-dihydroxy-2-methyl-4,6-dioxo-, methyl ester
Datenbank-Bezeichner
- CAS
93752-78-4- PubChem CID
- 54692970
- DTXSID
DTXSID30239563- ChEMBL
CHEMBL3086843- ChEBI
CHEBI:201439- UNII
- FM3CDQ49WS
- Nikkaji
- J122.700I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 119 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 646
Physikochemische Eigenschaften
- Siedepunkt
- 592.2 · 592.2±50.0 °C(Predicted)
- Dichte
- 1.659 · 1.659±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMF: soluble; DMSO: soluble; Ethanol: somewhat soluble; Methanol: somewhat soluble
- Aggregatzustand
- A solid
- pka
- 3.34 · 3.34±0.40(Predicted)
Chemie und Industrie
Anwendungen
VerwendenLateropyrone is an unusual heterocyclic metabolite isolated from Fusarium avenaceum with antibacterial and antifungal activity. The metabolite was independently characterised as Antibiotic Y and found to be an important metabolite marker for strains of F. avenaceum. Lack of availability has hitherto restricted a more intensive investigation of this metabolite.
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