Neolabuanine A
AlkaPlorer ID: AK129522
Synonym: 10,11-Dihydro-9H-benzo[b]pyrido[4,3,2-de][1,10]phenanthroline-8,9-dione
IUPAC Name: 8-hydroxy-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: O=C1CCNC2=C1C(=O)C1=NC=CC3=C4C=CC=CC4=NC2=C13
InChI: InChI=1S/C18H11N3O2/c22-12-6-8-19-15-14(12)18(23)17-13-10(5-7-20-17)9-3-1-2-4-11(9)21-16(13)15/h1-5,7,19H,6,8H2
InChIKey: KNNHDDHWYAWQRR-UHFFFAOYSA-N
Reference
COCONUT: CNP0430790
Source
Properties Information
Molecule Weight: 301.30500000000006
TPSA？: 71.95
MolLogP？: 2.2528000000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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