Pungenin

Base Information

• Chemical Name: Pungenin
• CAS No.: 55483-00-6
• Molecular Formula: C14H18O8
• Molecular Weight: 314.28800
• UNII: SC67H2S7NM
• ChEMBL ID: CHEMBL1092512
• DSSTox Substance ID: DTXSID801216422
• Metabolomics Workbench ID: 121983
• Nikkaji Number: J1.826.259B
• Wikidata: Q28209404
• Wikipedia: Pungenin
• Mol file: 55483-00-6.mol

Synonyms:pungenin;55483-00-6;SC67H2S7NM;UNII-SC67H2S7NM;1-(3-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl)ethanone;Ethanone, 1-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-;Ethanone, 1-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-;1-(4-Hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)phenyl)ethan-1-one;1-(4-Hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-one;CHEMBL1092512;DTXSID801216422;1-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXYPHENYL)ETHANONE;ETHANONE, 1-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXYPHENYL)-

Chemical Property of Pungenin

Chemical Property:

• PSA: 136.68000
• LogP: -1.22650
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 314.10016753
• Heavy Atom Count: 22
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: CC(=O)C1=CC(=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O