Jorunnamycin A

Base Information

• Chemical Name: Jorunnamycin A
• CAS No.: 701911-92-4
• Molecular Formula: C₂₆H₂₇N₃O₇
• Molecular Weight: 493.516
• ChEMBL ID: CHEMBL549905
• DSSTox Substance ID: DTXSID001098705
• Metabolomics Workbench ID: 184189
• Nikkaji Number: J2.049.904D
• Wikidata: Q105127836

Synonyms:jorunnamycin A

Chemical Property of Jorunnamycin A

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 493.18490021
• Heavy Atom Count: 36
• Complexity: 1320

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• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CO)C#N)C(=O)C(=C(C5=O)OC)C)OC
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C(C[C@H](N4C)[C@@H](N3[C@H]2CO)C#N)C(=O)C(=C(C5=O)OC)C)OC

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