Annonacin

Base Information

• Chemical Name: Annonacin
• CAS No.: 111035-65-5
• Molecular Formula: C35H64 O7
• Molecular Weight: 596.90
• European Community (EC) Number: 881-577-3
• NSC Number: 606194
• UNII: 40372ET6TM
• DSSTox Substance ID: DTXSID20892989
• Nikkaji Number: J246.239G
• Wikipedia: Annonacin
• Wikidata: Q2058866
• Metabolomics Workbench ID: 143441
• ChEMBL ID: CHEMBL67945
• Mol file: 111035-65-5.mol

Synonyms:annonacin

Chemical Property of Annonacin

Chemical Property:

• Melting Point: 69-71 °C
• Boiling Point: 756.2±55.0 °C(Predicted)
• PKA: 14.45±0.20(Predicted)
• PSA: 116.45000
• Density: 1.050±0.06 g/cm3(Predicted)
• LogP: 7.06130
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 26
• Exact Mass: 596.46520438
• Heavy Atom Count: 42
• Complexity: 726

Purity/Quality:

99.9% ^*data from raw suppliers

Annonacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
• Isomeric SMILES: CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O
• Uses: (+/-) Annonacin is used as a modulation of cancer signaling pathway(s) in two -stage mouse skin tumorigenesis by annonacin. Its also used in the evaluation of nutritional characteristics and bioactive compounds of Annona muricata-yogurt and Annona muricata-frozen dessert.