Cas no 145643-96-5 (6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-)

6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)- structure
145643-96-5 structure
Product Name:6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-
CAS No:145643-96-5
MF:C20H16O6
MW:352.337446212769
CID:140183
PubChem ID:10315987
Update Time:2025-07-15

6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)- Chemical and Physical Properties

Names and Identifiers

    • 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-
    • Cyclocommunol
    • 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
    • [ "" ]
    • 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b]benzopyran-7-one, 9CI
    • BDBM50291297
    • AKOS040761555
    • 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
    • CHEBI:175506
    • 145643-96-5
    • FS-7738
    • LMPK12110937
    • CHEMBL4164003
    • DTXSID801317731
    • SCHEMBL7694675
    • 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-
    • 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-(1)benzopyrano(4,3-b)benzopyran-7-one, 9ci
    • 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno(4,3-b)chromen-7-one
    • DA-62588
    • VFA64396
    • HY-N3665
    • Inchi: 1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3
    • InChI Key: VHNPAPHWKVLGHG-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=CC=2C2=C(C(C3C(=CC(=CC=3O2)O)O)=O)C1/C=C(\C)/C)O

Computed Properties

  • Exact Mass: 352.09500
  • Monoisotopic Mass: 352.09468823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 649
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 96.2?2

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 628.2±55.0 °C at 760 mmHg
  • Flash Point: 230.5±25.0 °C
  • PSA: 100.13000
  • LogP: 3.97650
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)- Security Information

6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)- Pricemore >>

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Additional information on 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-

Comprehensive Analysis of 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)- (CAS No. 145643-96-5)

The compound 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-, identified by its CAS No. 145643-96-5, is a structurally unique benzopyran derivative that has garnered significant interest in pharmaceutical and biochemical research. This molecule features a fused benzopyran core with hydroxyl and isoprenyl substituents, which contribute to its potential bioactivity. Researchers are particularly intrigued by its possible applications in natural product synthesis and medicinal chemistry, given its structural resemblance to flavonoids and coumarins.

Recent studies have highlighted the growing demand for plant-derived bioactive compounds, and this molecule aligns with current trends in sustainable drug discovery. Its polyhydroxybenzopyran scaffold suggests potential antioxidant properties, a topic frequently searched in connection with anti-aging formulations and cosmeceuticals. The presence of the 2-methyl-1-propenyl moiety may influence lipophilicity, a critical factor in drug bioavailability optimization – a hot topic in pharmacokinetics research.

From a synthetic chemistry perspective, the benzopyrano[4,3-b]benzopyran skeleton presents intriguing challenges for total synthesis enthusiasts. The compound's CAS No. 145643-96-5 frequently appears in patent literature related to heterocyclic compound libraries, reflecting industry interest in such scaffolds for high-throughput screening programs. Analytical chemists have developed specialized HPLC methods for its characterization, addressing common search queries about chromatographic separation of oxygenated heterocycles.

The trihydroxy substitution pattern at positions 3,8,10 suggests potential for metal chelation, connecting to popular searches about natural metal-chelating agents. This property could be relevant for developing functional food additives or investigating enzyme inhibition mechanisms. The compound's structural features have prompted computational chemists to study its molecular docking potential with various biological targets, a subject of numerous in silico drug design inquiries.

In material science applications, the extended π-conjugated system of this benzopyran derivative has attracted attention for potential use in organic semiconductors, aligning with growing interest in bio-based electronic materials. Its fluorescence properties, inferred from the benzopyrone core, make it a candidate for molecular probes development – a trending topic in bioimaging research circles.

Quality control specialists emphasize the importance of proper spectroscopic characterization (IR, NMR, MS) for this compound, addressing frequent search terms about structural elucidation of complex heterocycles. The CAS No. 145643-96-5 serves as a crucial identifier in chemical database searches, particularly for researchers investigating structure-activity relationships in related benzopyranoids.

Environmental chemists have examined the biodegradation pathways of similar structures, responding to increased public interest in green chemistry metrics. The compound's natural product analogs are often discussed in context of phytochemical biosynthesis, a subject with growing search volume among plant biology enthusiasts and nutraceutical developers.

From a regulatory standpoint, proper documentation of 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one,3,8,10-trihydroxy-6-(2-methyl-1-propenyl)- requires accurate reference to its CAS No. 145643-96-5 in chemical inventory listings. Safety data sheets emphasize standard laboratory precautions, addressing common queries about handling of oxygenated aromatic compounds in research settings.

The compound continues to inspire research across multiple disciplines, from medicinal chemistry to materials science, demonstrating how complex natural product-inspired structures can bridge diverse scientific fields. Its study addresses numerous contemporary research questions while offering potential solutions to challenges in drug development and functional material design.

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