Mangostanol
Grundinformationen
- CAS
184587-72-2- Standard-SMILES
COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CC(O)C(C)(C)O4- InChIKey
KCMPFWGUVNEDHW-UHFFFAOYSA-N- Summenformel
- C24H26O7
- Durchschnittliche Molmasse
- 426,5 g/mol
- Monoisotopische Masse
- 426,16785316
Überblick
Mangostanol has been reported in Garcinia mangostana and Garcinia with data available.
Namen und Bezeichner
- Bevorzugter Name
- Mangostanol
- IUPAC
- 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
- Englischer Name
- Mangostanol
- Summenformel
- C24H26O7
- Molmasse
- 426.46
Namen und Synonyme
MANGOSTANOL184587-72-2(+)-Mangostanol3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano(3,2-b)xanthen-6-oneRefChem:155634CHEMBL12242502H,6H-Pyrano[3,2-b]xanthen-6-one, 3,4-dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-, (+)- (9CI); (+)-3,4-Dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one; (+)-Mangostanol3,5,9-Trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-oneorb1682163SCHEMBL30662541
Weitere Namen anzeigen
3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydropyrano[3,2-b]xanthen-6(2H)-one2H,6H-Pyrano[3,2-b]xanthen-6-one,3,4-dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-,(+)-
DTXSID301318291HY-N3324BDBM50325676TN4492AKOS032961774DA-75301FS-10507CS-0023896
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 105 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 715
Physikochemische Eigenschaften
- Schmelzpunkt
- 164 · 164-166 °C
- Siedepunkt
- 657.1 · 657.1±55.0 °C(Predicted)
- Dichte
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 6.89 · 6.89±0.60(Predicted)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
BeschreibungMangostanol, also known as 3-isomangostin, belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. Mangostanol is considered to be a practically insoluble (in water) and relatively neutral molecule. Within the cell, mangostanol is primarily located in the membrane (predicted from logP). Outside of the human body, mangostanol can be found in fruits and purple mangosteen. This makes mangostanol a potential biomarker for the consumption of these food products.
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