83156-23-4

Basic information

• Product Name: 6-hydroxy-2,3,3-trimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione
• Synonyms: 8-Hydroxydunnione
• CAS NO: 83156-23-4
• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.2693
• Mol File: 83156-23-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 427.7°C at 760 mmHg
• Flash Point: 162.6°C
• Density: 1.35g/cm³
• Vapor Pressure: 6.43E-08mmHg at 25°C
• Refractive Index: 1.621
• CAS DataBase Reference: 6-hydroxy-2,3,3-trimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 6-hydroxy-2,3,3-trimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione(83156-23-4)
• EPA Substance Registry System: 6-hydroxy-2,3,3-trimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione(83156-23-4)

Safety Data

• Hazardous Substances Data: 83156-23-4(Hazardous Substances Data)

Upstream product

• 75-75-2 methanesulfonic acid 
• 1226488-29-4 3,5-dihydroxy-2-(2-methylbut-3-en-2-yl)naphthalene-1,4-dione 

Relevant articles and documents

QSAR on antiproliferative naphthoquinones based on a conformation- independent approach

The antiproliferative activities of a series of 36 naphthoquinone derivatives were subjected to a Quantitative Structure-Activity Relationships (QSAR) study. For this purpose a panel of four human cancer cell lines was used, namely HBL-100 (breast), HeLa (cervix), SW-1573 (non-small cell lung) and WiDr (colon). A conformation-independent representation of the chemical structure was established in order to avoid leading with the scarce experimental information on X-ray crystal structure of the drug interaction. The 1179 theoretical descriptors derived with E-Dragon and Recon software were simultaneously analyzed through linear regression models based on the Replacement Method variable subset selection technique. The established models were validated and tested through the use of external test sets of compounds, the Leave-One-Out Cross Validation method, Y-Randomization and Applicability Domain analysis.