ecionine A
AlkaPlorer ID: AK003725
Synonym: None
IUPAC Name: 8-amino-10,20-diaza-3-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,7,9,11,13(21),14,16,18-nonaen-6-one
Structure
SMILES: C1C[NH+]=C2C(=C(C3=NC=CC4=C3C2=NC5=CC=CC=C45)N)C1=O
InChI: InChI=1S/C18H12N4O/c19-15-14-12(23)6-8-21-17(14)18-13-10(5-7-20-16(13)15)9-3-1-2-4-11(9)22-18/h1-5,7H,6,8,19H2/p+1
InChIKey: OEEMCZMNAPGGNY-UHFFFAOYSA-O
Reference
PubChem CID: 102164529
Source
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Properties Information
Molecule Weight: 301.32900000000006
TPSA？: 82.84
MolLogP？: 0.5239000000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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