Gancaonin C

Base Information

• Chemical Name: Gancaonin C
• CAS No.: 124596-87-8
• Molecular Formula: C20H18 O6
• Molecular Weight: 354.3533
• UNII: ZWQ7SXH5WZ
• DSSTox Substance ID: DTXSID001318280
• Nikkaji Number: J1.925.343K
• Wikidata: Q76390045
• Metabolomics Workbench ID: 22334
• Mol file: 124596-87-8.mol

Synonyms:Gancaonin C;124596-87-8;5,7,4'-Trihydroxy-8-(4-hydroxyprenyl)isoflavone;5,7-Dihydroxy-8-((E)-4-hydroxy-3-methyl-but-2-enyl)-3-(4-hydroxy-phenyl)-1-benzopyran-4-one;CHEBI:175546;DTXSID001318280;LMPK12050197;5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one;4',5,7-Trihydroxy-8-(4-hydroxyprenyl)isoflavone;5,7-Dihydroxy-8-(4-hydroxy-3-methyl-2-butenyl)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;5,7-dihydroxy-8-[(E)-4-hydroxy-3-methyl-but-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one;(E)-5,7-Dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-3-(4-hydroxyphenyl)-4H-chromen-4-one;5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-3-(4-hydroxyphenyl)-4H-chromen-4-one

Chemical Property of Gancaonin C

Chemical Property:

• Vapor Pressure: 2.73E-18mmHg at 25°C
• Boiling Point: 659.5°Cat760mmHg
• Flash Point: 239.9°C
• Density: 1.429g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 354.11033829
• Heavy Atom Count: 26
• Complexity: 575

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CO
• Isomeric SMILES: C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)/CO