Viridicatumtoxin
Grundinformationen
- CAS
39277-41-3- Standard-SMILES
COc1cc(O)c2c(O)c3c(c4c2c1[C@]1(C4)C(C)=CCCC1(C)C)[C@H](O)[C@@]1(O)CC(=O)C(C(N)=O)=C(O)[C@@]1(O)C3=O- InChIKey
SUWQGLGDFGHZNH-UHFFFAOYSA-N- Summenformel
- C30H31NO10
- Durchschnittliche Molmasse
- 565,6 g/mol
- Monoisotopische Masse
- 565,19479619
Überblick
Viridicatumtoxin is a tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. It has a role as an antimicrobial agent, an antineoplastic agent, a fungal metabolite and an EC 2.5.1.31 {ditrans,polycis-undecaprenyl-diphosphate synthase [(2E,6E)-farnesyl-diphosphate specific]} inhibitor. It is a tertiary alpha-hydroxy ketone, a primary carboxamide, a polyketide, a polyphenol, a tertiary alcohol, a spiro compound, an enol, an aromatic ether, a secondary alcohol, a cyclic ketone, an enone, an enamide, an organic polycyclic compound and an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- Viridicatumtoxin
- IUPAC
- (3'S,4'S,6S,9'S)-3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide
- Englischer Name
- viridicatumtoxin
- Summenformel
- C30H31NO10
- Molmasse
- 565.57
Namen und Synonyme
Viridicatumtoxin39277-41-3NSC 159628S8N62PLU21VIRIDITOXIN (FORMERLY)(3'S,4'S,6S,9'S)-3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamideSC 28762NSC-159628UNII-S8N62PLU21NSC159628viridicatumtoxin ABRN 2934660
Weitere Namen anzeigen
Spiro[2-cyclohexene-1,2'(1'H)-cyclopenta[de]naphthacene]-9'-carboxamide, 7',7'a,8',11',11'a,12'-hexahydro-5',6',7'a,10',11'a,12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (1R,7'aR,11'aR,12'R)-rel-(-)-
CHEMBL1984811SCHEMBL17340089SCHEMBL29426345CHEBI:85616DTXSID20893991(8,3-c]pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl esterSpiro[2-cyclohexene-1, 7',7'a,8',11',11'a,12'-hexahydro-5',6',7'a,10',11'a,12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (2'.alpha.,7'a.beta.,11'a.beta.,12'.beta.)-(-)-SID436556
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 208 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 1.290
Physikochemische Eigenschaften
- Schmelzpunkt
- 235 °C · 235°C (rough estimate)
- Siedepunkt
- 630.75 °C · 630.75°C (rough estimate)
- Dichte
- 1.3203 · 1.3203 (rough estimate)
- Brechungsindex
- 1.631 · 1.6310 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- Aggregatzustand
- A solid
- pka
- 4.5 · 4.500±1.00(predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301
Chemie und Industrie
Anwendungen
VerwendenViridicatumtoxin is a tetracycline-like metabolite produced by several species of Penicillium, first isolated in 1976 as a mycotoxin. Initial testing revealed that viridicatumtoxin caused myocardial deterioration, renal tubule necrosis and spleen atrophy. Analogous to the related tetracyclines, viridicatumtoxin was found to be a potent antibacterial, with activity against S. aureus including MRSA and QRSA strains. Little has been published on the mode of action of viridicatumtoxin.
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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