CAS 19913-01-0

(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one

Description:

The chemical substance with the name "(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one" and CAS number "19913-01-0" is a complex organic compound characterized by its multi-ring structure, which includes a benzodioxole moiety and a benzoxepin framework. This compound features several stereocenters, contributing to its specific three-dimensional configuration, which can influence its biological activity and interactions. The presence of methoxy and methyl groups suggests potential hydrophobic characteristics, while the tetrahydro structure indicates it is a saturated derivative. Such compounds often exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. The specific arrangement of functional groups and stereochemistry can significantly affect the compound's reactivity, solubility, and binding affinity to biological targets. Overall, this substance exemplifies the complexity and diversity found in organic chemistry, particularly in the realm of natural product derivatives and their synthetic analogs.

Formula: C₂₀H₂₀O₅

InChI: InChI=1S/C20H20O5/c1-11-14(12-3-4-16-17(5-12)24-10-23-16)6-13-8-20(11)9-18(22-2)15(21)7-19(20)25-13/h3-5,7,9,11,13-14H,6,8,10H2,1-2H3/t11-,13+,14+,20-/m1/s1

InChI key: InChIKey=SXHVHWXETMBKPP-KXXATPMCSA-N

SMILES: C[C@H]1[C@@]23C(O[C@](C2)(C[C@@H]1C=4C=C5C(=CC4)OCO5)[H])=CC(=O)C(OC)=C3

Synonyms:

• 8H-2,5a-Methano-1-benzoxepin-8-one, 4-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-, (2α,4α,5β,5aα)-(-)-
• 8H-2,5a-Methano-1-benzoxepin-8-one, 2,3,4,5-tetrahydro-7-methoxy-5-methyl-4-[3,4-(methylenedioxy)phenyl]-, (-)-
• 8H-2,5a-Methano-1-benzoxepin-8-one, 4-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-, (2S,4S,5R,5aS)-
• (2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one
• Futoenone

Futoenone

CAS: 19913-01-0

Futoenone and a series of its derivatives have shown inhibitory activities against matrix metalloproteinases, the molecular modelings of these compounds

Formula: C₂₀H₂₀O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 340.37

Ref: TM-TN4088

Futoenone

CAS: 19913-01-0

Formula: C₂₀H₂₀O₅

Purity: 95%~99%

Molecular weight: 340.375

Ref: BP-SBP03329

Futoenone

CAS: 19913-01-0

Futoenone is a naturally occurring sesquiterpene, which is derived from the essential oils of plants, particularly from species within the Lauraceae family. Its mode of action involves disruption of microbial cell walls and modulation of inflammatory pathways, making it a potent antimicrobial and anti-inflammatory agent. Scientific investigations have elucidated that futoenone interferes with microbial integrity, and it also inhibits the expression of pro-inflammatory cytokines, thus providing dual functionality.

Formula: C₂₀H₂₀O₅

Purity: Min. 95%

Molecular weight: 340.4 g/mol

Ref: 3D-UAA91301