Grundinformationen
- Standard-SMILES
COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
IEMIRSXOYFWPFD-BJGSYIFTSA-N- Summenformel
- C16H20O9
- Durchschnittliche Molmasse
- 356,32 g/mol
Überblick
4-O-beta-D-glucosyl-trans-ferulic acid is a methoxyycinnamic acid that is ferulic acid in which the phenolic hydroxy group at position 4 has been converted into its beta-D-glucoside. It has a role as a plant metabolite. It is a beta-D-glucoside, a monomethoxybenzene, a methoxycinnamic acid and a monosaccharide derivative. It is functionally related to a trans-ferulic acid. It is a conjugate acid of a 4-O-beta-D-glucosyl-trans-ferulate.
Namen und Bezeichner
- Bevorzugter Name
- Trans-4-O-Beta-D-Glucopyranosylferulic Acid
- IUPAC
- (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Namen und Synonyme
(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid(E)-3-(3-methoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)prop-2-enoic acidRefChem:1100242Trans-4-O-Beta-D-Glucopyranosylferulic AcidLavandoside117405-51-32-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]-, (2E)-(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-2-propenoic acid(E)-4-Hydroxy-3-methoxycinnamic acid 4-O-|A-D-glucopyranoside(E)-4-Hydroxy-3-methoxycinnamic acid 4-O-beta-D-glucopyranoside(E)-ferulic acid 4-O-beta-D-glucosideFerulic acid 4-glucoside
Weitere Namen anzeigen
orb2278571orb3054652CHEMBL3403684CHEBI:139435(E)-3-[3-methoxy-4-[(2Strans-Ferulic acid-4-beta-glucosideMFCD30537612HY-W047187
Datenbank-Bezeichner
- CAS
537-98-4- PubChem CID
- 13916049
- ChEMBL
CHEMBL3403684- ChEBI
CHEBI:139435- Nikkaji
- J1.683.941H、J752.924D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 146 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 469
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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