Neolabuanine A; 1-Hydroxy, 8-imine
AlkaPlorer ID: AK037699
Synonym: Ecionine B
IUPAC Name: 6-hydroxy-8-imino-3,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,6,9,11,13(21),14,16,19-octaen-18-one
Structure
SMILES: N=C1C2=C(NCCC2=O)C2=NC3=C(O)C=CC=C3C3=CC=NC1=C23
InChI: InChI=1S/C18H12N4O2/c19-14-13-10(23)5-7-21-17(13)18-12-8(4-6-20-16(12)14)9-2-1-3-11(24)15(9)22-18/h1-4,6,19,21,24H,5,7H2
InChIKey: WRKOCLBDIPVFHF-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 316.32000000000005
TPSA？: 98.96
MolLogP？: 2.1435700000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|