Isoliensinine

Base Information

• Chemical Name: Isoliensinine
• CAS No.: 6817-41-0
• Molecular Formula: C37H42N2O6
• Molecular Weight: 610.75
• ChEMBL ID: CHEMBL502370
• DSSTox Substance ID: DTXSID60218346
• Nikkaji Number: J1.989.232H
• Wikidata: Q72485403
• Mol file: 6817-41-0.mol

Synonyms:isoliensinine

Chemical Property of Isoliensinine

Chemical Property:

• Vapor Pressure: 1.32E-21mmHg at 25°C
• Melting Point: 69-71℃
• Refractive Index: 1.618
• Boiling Point: 723.1 °C at 760 mmHg
• PKA: 9.28±0.45(Predicted)
• Flash Point: 391.1 °C
• PSA: 83.86000
• Density: 1.218 g/cm³
• LogP: 6.33510
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 610.30428706
• Heavy Atom Count: 45
• Complexity: 917

Purity/Quality:

99% min ^*data from raw suppliers

Isoliensinine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)OC
• Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)OC
• Description: Tomita and his co-workers have obtained this bisisoquinoline alkaloid from the embryo of the seeds of Nelumbo nucifera Gaertn. The base has [α]29D + 49.3° (Me2CO) and - 43.3° (CHC13 ). The hydrochloride tetrahydrate forms colourless crystals, m.p. l85-6°C (dry); the perchlorate monohydrate has m.p. 200-3°C (dry); [α]22D - 70° (Me2CO) and the styphnate of the O,O-dimethyl ether, also crystalline, has m.p. l33-5°C; [α]27D - 81.5° (Me2CO). Three methoxyl, two hydroxyl and two methylimino groups are present.
• Uses: (+)-Isoliensinine is an alkaloid which displays activation of AMP-activated kinase and regulation of PPARγ receptors.