HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Deoxylapachol
deoxylapachol · DESOXYLAPACHOL · Deoxylapachol, 10 mM in DMSO · 2-(3-Methyl-2-butenyl)-1,4-naphthoquinone · 2-(3-Methyl 2-butenyl)-1,4-naphthoquinone · 2-(3-methylbut-2-enyl)naphthalene-1,4-dione · 1,4-Naphthalenedione, 2-(3-methyl-2-butenyl)- · 2-(3-Methylbut-2-en-1-yl)naphthalene-1,4-dione
Identifikatoren & physikalische Daten
| CAS No. | 3568-90-9 |
|---|---|
| Summenformel | C15H14O2 |
| Durchschnittliche Molmasse | 226,27 g/mol |
| Monoisotopische Masse | 226,09937969 g/mol |
| SMILES | CC(C)=CCC1=CC(=O)c2ccccc2C1=O |
| InChIKey | OSDFYZPKJKRCRR-UHFFFAOYSA-N |
| PubChem CID | 97448 |
| ChEMBL | CHEMBL32570 |
| ChEBI | CHEBI:4414 |
| DTXSID | DTXSID40189186 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 397 |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | oil |
| Farbe | Yellow |
| InChI | InChI=1S/C15H14O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9H,8H2,1-2H3 |
| InChIKey | OSDFYZPKJKRCRR-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)C=C1C/C=C(/C)\C |
| LogP (Verteilungskoeffizient) | 4.240 (est) |
Sicherheit & Vorschriften
| Alarmwort | Achtung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H300 |
Anwendungen & Verwendung
Beschreibung
Deoxylapachol is the main allergen identified in teak (Tectona grandis). Sensitization often concerns people involved in woodwork.
Occurrence
deoxylapachol is a natural product found inTectona grandis,Handroanthus impetiginosus, andother organismswith data available.
Verwenden
Deoxylapachol is a major cytotoxic component of New Zealand brown alga,Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity.