Gancaonin D

Base Information

• Chemical Name: Gancaonin D
• CAS No.: 124596-88-9
• Molecular Formula: C21H20 O7
• Molecular Weight: 384.3793
• DSSTox Substance ID: DTXSID901110235
• Nikkaji Number: J1.945.009K
• Wikidata: Q76303491
• Metabolomics Workbench ID: 22400
• Mol file: 124596-88-9.mol

Synonyms:Gancaonin D;CHEBI:168847;DTXSID901110235;LMPK12050263;5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one;3',5,7-Trihydroxy-4'-methoxy-8-(4-hydroxyprenyl)isoflavone;124596-88-9;5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-4H-1-benzopyran-4-one

Chemical Property of Gancaonin D

Chemical Property:

• Vapor Pressure: 2.17E-19mmHg at 25°C
• Boiling Point: 679.4°C at 760 mmHg
• Flash Point: 243°C
• Density: 1.414g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 384.12090297
• Heavy Atom Count: 28
• Complexity: 628

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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