structure of Spectinabilin

Spectinabilin

CAS No.: 28900-27-8
M. Wt: 477.54900
M. Fa: C28H31NO6
InChI Key: IZICQJAGBLBAMJ-MNOZRKQQSA-N
Appearance: Orange solid

Names and Identifiers of Spectinabilin

CAS Number

28900-27-8

IUPAC Name

2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one

InChI

InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-

InChIKey

IZICQJAGBLBAMJ-MNOZRKQQSA-N

Canonical SMILES

CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=CC(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C)C)C)CO2

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/C(=C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/C)/C)/CO2

Physical and chemical properties of Spectinabilin

Boiling Point

660.7ºC at 760mmHg

Density

1.2g/cm3

Exact Mass

477.21500

Flash Point

241ºC

Index of Refraction

1.588

LogP

7.08050

Molecular Formula

C28H31NO6

Molecular Weight

477.54900

PSA

94.49000

Vapour Pressure

2.5E-17mmHg at 25°C

Applications of Spectinabilin

Spectabilin has several promising applications:

  • Pharmaceutical Development: Due to its antibacterial and antiparasitic properties, spectabilin is being investigated as a potential lead compound for new drugs.
  • Biotechnology: The compound serves as a model for studying polyketide biosynthesis and engineering pathways for the production of novel bioactive compounds.
  • Agricultural Uses: Its biological activity may also lend itself to applications in agriculture as a natural pesticide or fungicide.

Interaction Studies of Spectinabilin

Interaction studies have focused on understanding how spectabilin interacts with various biological systems:

  • Receptor Binding Studies: Research has explored how spectabilin binds to specific receptors in bacterial cells, providing insights into its mechanism of action.
  • Synergistic Effects: Studies have indicated that combining spectabilin with other antimicrobial agents can enhance its effectiveness against resistant strains of bacteria.
  • Metabolic Pathway Analysis: Investigations into the metabolic pathways affected by spectabilin reveal its potential impact on cellular processes, which could inform therapeutic strategies.

Biological Activity of Spectinabilin

Spectabilin exhibits a range of biological activities:

  • Antibacterial Activity: Studies have shown that spectabilin possesses significant antibacterial properties, making it a candidate for developing new antibiotics.
  • Cytolytic Activity: The compound has demonstrated cytolytic effects, which may be useful in targeting cancer cells or pathogenic organisms.
  • Antiparasitic Effects: Research indicates that spectabilin can inhibit the growth of certain parasites, suggesting potential applications in treating parasitic infections.