Stercurensin
Grundinformationen
- CAS
94388-75-7- Standard-SMILES
COc1cc(O)c(C)c(O)c1C(=O)/C=C/c1ccccc1- InChIKey
JUZVHLGKYJTCKP-CMDGGOBGSA-N- Summenformel
- C17H16O4
- Durchschnittliche Molmasse
- 284,31 g/mol
- Monoisotopische Masse
- 284,10485899
Überblick
2',4'-dihydroxy-3'-methyl-6'-methoxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a methyl group at position 3', hydroxy groups at positions 2' and 4' and a methoxy group at position 6'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a member of chalcones, a monomethoxybenzene and a member of resorcinols. It is functionally related to a trans-chalcone.
Namen und Bezeichner
- Bevorzugter Name
- Stercurensin
- IUPAC
- (E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
- Englischer Name
- (E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one
- Summenformel
- C17H16O4
- Molmasse
- 0
Namen und Synonyme
Stercurensin(E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-oneRefChem:109905194388-75-7CHEMBL1271362CHEBI:70659(2E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one2',4'-dihydroxy-3'-methyl-6'-methoxychalcone2',4'-dihydroxy-6'-methoxy-3'-methylchalconeSCHEMBL662966DTXSID201151943BDBM50482873
Weitere Namen anzeigen
(E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one
LMPK12120223Q27138991(2E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one
Datenbank-Bezeichner
- CAS
94388-75-7- PubChem CID
- 11778601
- DTXSID
DTXSID201151943- ChEMBL
CHEMBL1271362- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 373
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Melting Point210 - 211 °C
Physical DescriptionSolid
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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