Ustilaginoidin B
Grundinformationen
- CAS
59204-76-1- Standard-SMILES
Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c(O)cc(CO)oc6cc45)c3cc2o1- InChIKey
GZIQKPWGGIPNAJ-UHFFFAOYSA-N- Summenformel
- C28H18O11
- Durchschnittliche Molmasse
- 530,4 g/mol
- Monoisotopische Masse
- 530,08491139
Überblick
Ustilaginoidin B is a binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-methyl-4H-benzo[g]chromen-4-one and 5,6,8-trihydroxy-2-(hydroxymethyl)-4H-benzo[g]chromen-4-one. It has a role as a mycotoxin. It is a binaphthopyran, a naphtho-gamma-pyrone and a benzochromenone.
Namen und Bezeichner
- Bevorzugter Name
- Ustilaginoidin B
- IUPAC
- 4,5,6-trihydroxy-2-methyl-9-[4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxobenzo[g]chromen-9-yl]benzo[g]chromen-8-one
- Englischer Name
- [aR,(-)]-5,5',6,6',8,8'-Hexahydroxy-2-hydroxymethyl-2'-methyl-9,9'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione
- Summenformel
- C28H18O11
- Molmasse
- 530.44
Namen und Synonyme
Ustilaginoidin BUstilaginoidine BUstilaginoidin B, (R)-L9DD6C2Y9BUNII-L9DD6C2Y9B(9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-, (9R)-5,6,8-Trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-(hydroxymethyl)-4-oxo-benzo(g)chromen-9-yl)benzo(g)chromen-4-one59204-76-14,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxobenzo(g)chromen-9-yl)benzo(g)chromen-8-one4,5,6-trihydroxy-2-methyl-9-[4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxobenzo[g]chromen-9-yl]benzo[g]chromen-8-oneRefChem:193375CHEBI:194127
Weitere Namen anzeigen
(-)-Ustilaginoidin B[aR,(-)]-5,5',6,6',8,8'-Hexahydroxy-2-hydroxymethyl-2'-methyl-9,9'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-, (9R)- (9CI)
Epitope ID:2151090(9M)-5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione(9R,9'R)-5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bi-4H-naphtho[2,3-b]pyran]-4,4'-dione(9Ra)-5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-4H,4'H-[9,9'-bibenzo[g]chromene]-4,4'-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 194 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 39
- Formalladung
- 0
- Komplexität
- 1.750
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