Resveratrol-3-sulfate
Grundinformationen
- CAS
553662-69-4- Standard-SMILES
O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1- InChIKey
DULQFFCIVGYOFH-OWOJBTEDSA-N- Summenformel
- C14H12O6S
- Durchschnittliche Molmasse
- 308,31 g/mol
- Monoisotopische Masse
- 308,03545927
Überblick
Resveratrol-3-O-sulfate is an organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol. It has a role as a xenobiotic metabolite. It is an organic sulfate and a stilbenol. It is functionally related to a trans-resveratrol.
Namen und Bezeichner
- Bevorzugter Name
- Resveratrol-3-sulfate
- IUPAC
- [3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] hydrogen sulfate
- Englischer Name
- trans Resveratrol 3-Sulfate
- Summenformel
- C14H12O6S
- Molmasse
- 308.31
Namen und Synonyme
Resveratrol-3-O-sulfateresveratrol-3-sulfate553662-69-4trans-Resveratrol 3-sulfateHF1O6B8YOWCHEBI:84040DTXSID2010093481,3-Benzenediol, 5-((1E)-2-(4-hydroxyphenyl)ethenyl)-, 1-(hydrogen sulfate)RefChem:930677DTXCID101436176Resveratrol 3-sulfateUNII-HF1O6B8YOW
Weitere Namen anzeigen
Dimethoate Impurity 6(Omethoate)Resveratrol Impurity 4 (Resveratrol-3-Sulfate)Resveratrol Impurity 4-13C6(Resveratrol-3-Sulfate-13C6)1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-, 1-(hydrogen sulfate)
CHEMBL1208633[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] hydrogen sulfateRESVERATROL-3-O-SULFATE (Trans)TRANS RESVERATROL 3-SULFATE3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl hydrogen sulfatetrans-Resveratrol-3-sulfatetrans-resveratrol-3-O-sulfateSCHEMBL18091201
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 112 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 447
Physikochemische Eigenschaften
- Dichte
- 1.576 · 1.576±0.06 g/cm3(Predicted)
- pka
- -4.35 · -4.35±0.18(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Cellular LocationsCytoplasm
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