Fleephilone
Grundinformationen
- CAS
183239-76-1- Standard-SMILES
C/C=C/C=C/C1=C2C3=CC(=O)C(C)(OC(=O)CC(C)O)C(=O)C3=CN3CC[C@H](O)[C@H](O1)[C@@H]23- InChIKey
UOPRBHLVKJBASE-XVSBCJMYSA-N- Summenformel
- C24H27NO7
- Durchschnittliche Molmasse
- 441,5 g/mol
- Monoisotopische Masse
- 441,1787522
Überblick
Fleephilone is a organic heterotetracyclic compound isolated from the fermentation broth of Trichoderma harzianum and exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a carboxylic ester, a secondary alcohol, a cyclic ether, an organonitrogen heterocyclic compound, an organic heterotetracyclic compound, an enone and a beta-diketone. It is functionally related to a 3-hydroxybutyric acid.
Namen und Bezeichner
- Bevorzugter Name
- Fleephilone
- IUPAC
- [(12S,13R,16R)-12-hydroxy-5-methyl-4,6-dioxo-15-[(1E,3E)-penta-1,3-dienyl]-14-oxa-9-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,7-trien-5-yl] 3-hydroxybutanoate
- Englischer Name
- fleephilone
- Summenformel
- C24H27NO7
- Molmasse
- 441.47
Namen und Synonyme
FleephiloneCHEBI:65900(2aR,3S,10cR)-3-hydroxy-8-methyl-7,9-dioxo-1-[(1E,3E)-penta-1,3-dien-1-yl]-2a,4,5,8,9,10c-hexahydro-3H,7H-2-oxa-5a-azaaceanthrylen-8-yl 3-hydroxybutanoate(2aR,3S,10cR)-3-hydroxy-8-methyl-7,9-dioxo-1-((1E,3E)-penta-1,3-dien-1-yl)-2a,4,5,8,9,10c-hexahydro-3H,7H-2-oxa-5a-azaaceanthrylen-8-yl 3-hydroxybutanoateRefChem:921653183239-76-1Butanoic acid, 3-hydroxy-, (2aR,3S,11cR)-2a,4,5,9,10,11c-hexahydro-3-hydroxy-9-methyl-8,10-dioxo-1-(1,3-pentadienyl)-3H,8H-benzo[b]furo[2,3,4-ij]quinolizin-9-yl ester, rel-orb3024579SCHEMBL20199900DTXSID701099097HY-N14366TN10342
Weitere Namen anzeigen
Butanoic acid, 3-hydroxy-, (2aR,3S,11cR)-2a,4,5,9,10,11c-hexahydro-3-hydroxy-9-methyl-8,10-dioxo-1-(1,3-pentadienyl)-3H,8H-benzo[b]furo[2,3,4-ij]quinolizin-9-yl ester, rel- (9CI)
Q27134393[(12S,13R,16R)-12-hydroxy-5-methyl-4,6-dioxo-15-[(1E,3E)-penta-1,3-dienyl]-14-oxa-9-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,7-trien-5-yl] 3-hydroxybutanoate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 1.020
Physikochemische Eigenschaften
- Siedepunkt
- 679.3 · 679.3±55.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.60(Predicted)
Chemie und Industrie
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