CAS 110042-38-1

Tussilagonone

Description:

Tussilagonone is a chemical compound classified as a sesquiterpene, primarily derived from the plant Tussilago farfara, commonly known as coltsfoot. This compound is notable for its potential biological activities, including anti-inflammatory and antimicrobial properties, which have garnered interest in pharmacological research. Tussilagonone is characterized by its complex molecular structure, which contributes to its unique chemical behavior and interactions. It typically exhibits a moderate level of lipophilicity, allowing it to interact with biological membranes effectively. The compound's solubility can vary depending on the solvent used, influencing its bioavailability and efficacy in therapeutic applications. Additionally, Tussilagonone may undergo various metabolic transformations in biological systems, which can affect its activity and stability. Overall, the study of Tussilagonone is significant in the context of natural product chemistry and its potential applications in medicine, particularly in developing new treatments for respiratory and inflammatory conditions.

Formula: C₂₁H₃₀O₃

InChI: InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8+/t16-,17-,19+,21-/m0/s1

InChI key: InChIKey=ORVROQPLYIDWBD-QWCDRRILSA-N

SMILES: [C@@H](C)(C)[C@H]1[C@]\2([C@](C(=C)[C@H](OC(/C=C(/CC)\C)=O)C1)(CC(=O)/C2=C\C)[H])[H]

Synonyms:

• 2-Pentenoic acid, 3-methyl-, (1Z,3aR,5R,7S,7aS)-1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (2E)-
• 2-Pentenoic acid, 3-methyl-, 1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [3aR-[1Z,3aα,5α(E),7β,7aβ]]-
• 2-Pentenoicacid, 3-methyl-, 1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, [3aR-[1Z,3aa,5a(E),7b,7ab]]-
• Tussilagonone
• Tussilagonone I