Kushenol C

Base Information

• Chemical Name: Kushenol C
• CAS No.: 99119-73-0
• Molecular Formula: C25H26O7
• Molecular Weight: 438.47
• Wikidata: Q83128175
• Metabolomics Workbench ID: 25597
• Mol file: 99119-73-0.mol

Synonyms:Kushenol C;99119-73-0;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chromen-4-one;4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-;4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-((2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (2R,3R)-;4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2R,3R)-;SCHEMBL564580;ZDA11969;LMPK12112514;AKOS040761959;HY-108966;CS-0033818;(2S,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one;(R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-(5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)-4H-chromen-4-one;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chromen-4-one

Chemical Property of Kushenol C

Chemical Property:

• PSA: 131.36000
• LogP: 5.07910
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 438.16785316
• Heavy Atom Count: 32
• Complexity: 781

Purity/Quality:

99% ^*data from raw suppliers

KushenolC ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C
• Isomeric SMILES: CC(=CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C