Cyclokievitone

Base Information

• Chemical Name: Cyclokievitone
• CAS No.: 74175-82-9
• Molecular Formula: C20H18O6
• Molecular Weight: 354.3533
• UNII: 99EDA7W2K8
• DSSTox Substance ID: DTXSID20995646
• Nikkaji Number: J2.771.887F
• Wikidata: Q27106286
• Metabolomics Workbench ID: 22630
• ChEMBL ID: CHEMBL4084828
• Mol file: 74175-82-9.mol

Synonyms:Cyclokievitone;74175-82-9;3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one;UNII-99EDA7W2K8;99EDA7W2K8;4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-;CHEBI:4019;1'',2''-Dehydrocyclokievitone;CHEMBL4084828;DTXSID20995646;CYCLOKIEVITONE, (+/-)-;LMPK12050493;Q27106286;3-(2,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-4h,8h -benzo[1,2-b:3,4-b']dipyran-4-one;3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI;3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3-dihydro-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

Chemical Property of Cyclokievitone

Chemical Property:

• Vapor Pressure: 8E-17mmHg at 25°C
• Boiling Point: 637°Cat760mmHg
• PKA: 7.49±0.60(Predicted)
• Flash Point: 232.9°C
• PSA: 96.22000
• Density: 1.401g/cm³
• LogP: 3.34650
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 354.11033829
• Heavy Atom Count: 26
• Complexity: 587

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=C(C3=C2OCC(C3=O)C4=C(C=C(C=C4)O)O)O)C
• Uses: Cyclokievitone is an isoflavonoids isolated from the runner bean (P. coccineus) seedlings.