8,8-dimethyl-2H, 8H-pyrano-(3, 2γ)-chromen-2-one

8,8-dimethyl-2H, 8H-pyrano-(3, 2γ)-chromen-2-one
Compound Structure:
Synonyms: Xanthyletin;553-19-5;Xanthyletine;2,2-dimethylpyrano[3,2-g]chromen-8-one;Spectrum_000673;SpecPlus_000132;CHEMBL303846;CHEBI:10073;3N789LD38N;8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one
Compound ID: NMPC-499
PubChem ID:

65188

Molecular Formula: C14H12O3
Canonical SMILES: CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
InChIKey: QOTBQNVNUBKJMS-UHFFFAOYSA-N
About the compound:

Xanthyletin, with its chemical notation C14H12O3, is recognized for its coumarin-based structure and exhibits a multitude of biological effects such as anti-inflammatory, anti-tumor, and anti-bacterial activities, alongside inhibiting fungi associated with leaf-cutting ants. This compound has been meticulously cataloged, highlighting its importance and potential utility in scientific and applied research contexts[1,2]. With a molecular mass of 228.244 g/mol and a CAS registry identifier of 553-19-5, xanthyletin is readily identifiable in chemical databases and scientific publications. Its structure, anchored on a coumarin framework, is pivotal to its bioactive capabilities[2]. Xanthyletin is predicted to have a density near 1.2 g/cm³, with a boiling point around 384.6°C under normal atmospheric conditions. Its low vapor pressure suggests that it is not prone to evaporation at ambient temperatures, while its flash point at 161.9°C warrants careful handling to prevent accidental ignition. Additionally, the solubility of xanthyletin in water and its partition coefficient (LogP) are valuable for understanding how it interacts with biological environments and its persistence in nature[1]. The classification of xanthyletin as a coumarin derivative and its documentation in various scientific repositories reflect its significance to researchers in natural product chemistry and pharmacology. Its broad spectrum of biological actions positions it as a compelling subject for the exploration of novel medical treatments or agricultural chemicals.

Reference 

1. ChemSpider. "Xanthyletin | C14H12O3." Accessed on ChemSpide:https://www.chemspider.com/Chemical-Structure.58687.html

2. Gupta, A. K. D., & Das, K. R. (1969). Coumarins and related compounds. Part VI. A new approach to xanthyletin. Journal of the Chemical Society C: Organic, (1), 33-34.

TargetMol. "Xanthyletin | ERK | MMP | Antifungal." Discusses : https://www.targetmol.com/compound/Xanthyletin

Properties:
Source Species: Vernonia blumeoides
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