Kuwanon E

Base Information

• Chemical Name: Kuwanon E
• CAS No.: 68401-05-8
• Molecular Formula: C25H28O6
• Molecular Weight: 424.4862
• Metabolomics Workbench ID: 27618
• ChEMBL ID: CHEMBL1096939
• Mol file: 68401-05-8.mol

Synonyms:Kuwanon E;68401-05-8;2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;KuwanonE;SCHEMBL5327823;CHEMBL1096939;(S)-2-[5-[(E)-3,7-Dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one;BDBM50488883;LMPK12140462;AKOS037515408;AS-77066;2',4',5,7-Tetrahydroxy-5'-geranylflavanone;2-[5-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

Chemical Property of Kuwanon E

Chemical Property:

• Vapor Pressure: 5.05E-19mmHg at 25°C
• Melting Point: 121 °C
• Boiling Point: 678.3°Cat760mmHg
• PKA: 7.49±0.40(Predicted)
• Flash Point: 232°C
• PSA: 107.22000
• Density: 1.273g/cm³
• LogP: 5.45070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 424.18858861
• Heavy Atom Count: 31
• Complexity: 682

Purity/Quality:

≥98% ^*data from raw suppliers

KuwanonE 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C