Neolabuanine A; 8-Imine
AlkaPlorer ID: AK099586
Synonym: Ecionine A, Labuanine A
IUPAC Name: 8-amino-3,10,20-triazapentacyclo[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: N=C1C2=C(NCCC2=O)C2=C3C1=NC=CC3=C1C=CC=CC1=N2
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/h1-5,7,19,21H,6,8H2
InChIKey: BCSTZWWDLXOTAE-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 300.321
TPSA？: 78.73
MolLogP？: 2.437970000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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