CAS 1416052-89-5: 5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one

Description: The chemical substance known as 5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one, with the CAS number 1416052-89-5, is a complex organic compound characterized by its isoindole core structure. This compound features multiple functional groups, including a hydroxy group, a methoxy group, and a ketone, contributing to its potential reactivity and biological activity. The presence of a long aliphatic chain with a conjugated double bond system suggests possible interactions with biological membranes or receptors. Additionally, the phenylethyl substituent may enhance lipophilicity, influencing its pharmacokinetic properties. The compound's structural complexity indicates potential applications in medicinal chemistry, possibly as a lead compound for drug development. Its unique arrangement of substituents may also impart specific stereochemical properties, which could be relevant in determining its biological activity. Further studies would be necessary to elucidate its precise mechanisms of action and potential therapeutic uses.

Formula: C₂₇H₃₁NO₄

InChI: InChI=1S/C27H31NO4/c1-18(2)14-21(29)15-19(3)10-11-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+

InChI key: InChIKey=AAXHHISTDMILPL-VXLYETTFSA-N

SMILES: O=C(C=C(C)C)CC(=CCC1=C(OC)C=C2C(=O)N(CC2=C1O)CCC=3C=CC=CC3)C

Synonyms:

• Isohericenone
• 5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one
• Hericenone B
• 1H-Isoindol-1-one, 5-[(2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-
• 5′-Oxoisohericenin

Hericenone B

CAS: 1416052-89-5

• Formula: C₂₇H₃₁NO₄
• Molecular weight: 433.55

Hericenone B

CAS: 1416052-89-5

• Formula: C₂₇H₃₁NO₄
• Color and Shape: Neat
• Molecular weight: 433.539