Pelargonidin 3-(6-p-coumaroyl)glucoside
Grundinformationen
- Standard-SMILES
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
VZPBBOAZFCREMQ-SHPGVJHPSA-O- Summenformel
- C30H27O12+
- Durchschnittliche Molmasse
- 579,5 g/mol
- Monoisotopische Masse
- 579,14970272
Überblick
Pelargonidin 3-(6-p-coumaroyl)glucoside is an anthocyanidin glycoside that is the cinnamate ester obtained by the formal condensation of 6''-hydroxy group of pelargonidin 3-O-beta-D-glucoside with trans-4-coumaric acid. It has a role as a plant metabolite. It is a cinnamate ester, a monosaccharide derivative and an anthocyanidin glycoside. It is functionally related to a pelargonidin 3-O-beta-D-glucoside and a trans-4-coumaric acid.
Namen und Bezeichner
- Bevorzugter Name
- Pelargonidin 3-(6-p-coumaroyl)glucoside
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Namen und Synonyme
Pelargonidin 3-(6-p-coumaroyl)glucosideCHEBI:804755,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)-beta-D-glucopyranosideRefChem:170696Pelargonidin 3-p-coumarylglucosideLMPK12010031Q27149526[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Datenbank-Bezeichner
- ChEBI
CHEBI:80475
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 187 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 42
- Formalladung
- 1
- Komplexität
- 901
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Physical DescriptionLiquid
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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