Isocyclomulberrin

Base Information

• Chemical Name: Isocyclomulberrin
• CAS No.: 145682-71-9
• Molecular Formula: C25H24 O6
• NSC Number: 720090
• DSSTox Substance ID: DTXSID60934438
• Nikkaji Number: J968.837D
• Wikidata: Q82910327
• Metabolomics Workbench ID: 24017
• ChEMBL ID: CHEMBL485976
• Mol file: 145682-71-9.mol

Synonyms:Isocyclomulberrin;152186-79-3;6H,7H-(1)Benzopyrano(4,3-b)(1)benzopyran-7-one, 3,8,10-trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-, (+)-;6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 3,8,10-trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-, (+)-;CHEMBL485976;DTXSID60934438;CHEBI:178578;LMPK12110934;NSC720090;NSC-720090;3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one;3,8,10-Trihydroxy-9-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one;3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[3,2-c]chromen-7-one

Chemical Property of Isocyclomulberrin

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 420.15728848
• Heavy Atom Count: 31
• Complexity: 803

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(OC4=C3C=CC(=C4)O)C=C(C)C)O)C