Samaderine E
Grundinformationen
- CAS
64356-67-8- Standard-SMILES
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)C[C@]54O- InChIKey
MGGPOESVKAWHRB-KZOVRTNRSA-N- Summenformel
- C20H26O8
- Durchschnittliche Molmasse
- 394,4 g/mol
- Monoisotopische Masse
- 394,16276778
Überblick
Samaderine E is a quassinoid isolated from Quassia indica and Samadera indica and has been shown to exhibit antimalarial and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent and an antimalarial. It is a delta-lactone, a secondary alpha-hydroxy ketone, a tertiary alcohol, a tetrol, a secondary alcohol, a cyclic ether, an organic heteropentacyclic compound, an enone and a quassinoid.
Namen und Bezeichner
- Bevorzugter Name
- Samaderine E
- IUPAC
- (1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
- Englischer Name
- 13,20-Epoxy-1β,11β,12α,14-tetrahydroxypicras-3-ene-2,16-dione
- Summenformel
- C20H26O8
- Molmasse
- 394.42
Namen und Synonyme
Samaderine E64356-67-814-epi-samaderine ECHEBI:66161DTXSID50440578(1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione(1beta,11beta,12alpha)-1,11,12,14-tetrahydroxy-13,20-epoxypicras-3-ene-2,16-dione(1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-ene-4,11-dioneRefChem:181064DTXCID00391400NSC269442NSC-269442
Weitere Namen anzeigen
Samaderin E13,20-Epoxy-1β,11β,12α,14-tetrahydroxypicras-3-ene-2,16-dionePicras-3-ene-2,16-dione, 13,20-epoxy-1,11,12,14-tetrahydroxy-, (1β,11β,12α)- (9CI)
SAMADERINE (B619376K034)B619376K034Q271346871beta,11beta,12alpha,14-Tetrahydroxy-13beta-13,20-epoxypicras-3-ene-2,16-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,9
- Polarare Oberfläche (TPSA)
- 134 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 823
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