4-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 171810
• Molecular Formular: C16H14O4
• Molecular Mass: 270.27996
• Monoisotopic Mass: 270.08920893
• SMILES: c12c(c(c3c(c1)occ3)OCC=C(C)C)ccc(=O)o2
• Canonical SMILES: CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C
• InChI: InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
• InChIKey: IGWDEVSBEKYORK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 4-[(3-methylbut-2-en-1-yl)oxy]furo[3,2-g]chromen-7-one
• Synonyms: 4-(3-Methyl-but-2-enyloxy-furo[3,2-g]chromen-7-one; Iso Imperatorin; Isoimperatorin

Database IDs

• CAS Number: 482-45-1
• PubChem SID: 164227720
• PubChem CID: 68081

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1460578
• LogD (pH = 7.4): 3.1460578
• Log P: 3.1460578
• Molar Refractivity: 75.9711 cm^3
• Polarizability: 29.71836 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Powder; White Solid
• Melting Point: 107-111°C

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Classification: Genuine Natural Compounds

DETAILS

Toronto Research Chemicals - I820150

Anti-inflammatory. Effect on proliferation.