Gancaonin G

Base Information

• Chemical Name: Gancaonin G
• CAS No.: 126716-34-5
• Molecular Formula: C21H20 O5
• Molecular Weight: 352.3805
• UNII: 6FEL0FW4CB
• DSSTox Substance ID: DTXSID70155273
• Nikkaji Number: J770.933A
• Wikidata: Q83023153
• Metabolomics Workbench ID: 22489
• ChEMBL ID: CHEMBL494253
• Mol file: 126716-34-5.mol

Synonyms:Gancaonin G;126716-34-5;5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one;6FEL0FW4CB;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone;5-Hydroxy-3-(4-hydroxy-phenyl)-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one;GancaoninG;UNII-6FEL0FW4CB;CHEMBL494253;SCHEMBL1171175;DTXSID70155273;CHEBI:175513;HY-N3920;LMPK12050352;AKOS032949067;CS-0024456;4',5-Dihydroxy-7-methoxy-6-prenylisoflavone;4H-1-BENZOPYRAN-4-ONE, 5-HYDROXY-3-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-

Chemical Property of Gancaonin G

Chemical Property:

• Vapor Pressure: 8.22E-14mmHg at 25°C
• Boiling Point: 574.8°C at 760 mmHg
• PKA: 6.87±0.20(Predicted)
• Flash Point: 205.1°C
• PSA: 79.90000
• Density: 1.277g/cm³
• LogP: 4.38850
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 352.13107373
• Heavy Atom Count: 26
• Complexity: 569

Purity/Quality:

Analysis control,97.5% ^*data from raw suppliers

GancaoninG 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C