Demethylcalabaxanthone

Base Information

• Chemical Name: Demethylcalabaxanthone
• CAS No.: 106897-03-4
• Molecular Formula: C23H22O5
• DSSTox Substance ID: DTXSID501314283
• Nikkaji Number: J726.018K
• Wikidata: Q104398995
• Metabolomics Workbench ID: 44494
• ChEMBL ID: CHEMBL564653
• Mol file: 106897-03-4.mol

Synonyms:demethylcalabaxanthone;5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one;CHEMBL564653;CHEBI:178984;DTXSID501314283;2H,6H-pyrano[3,2-b]xanthen-6-one, 5,8-dihydroxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-;106897-03-4;5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,6-dihydro-1,11-dioxatetracen-6-one

Chemical Property of Demethylcalabaxanthone

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 378.14672380
• Heavy Atom Count: 28
• Complexity: 677

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)C