Ailanthoidine
AlkaPlorer ID: AK134921
Synonym: ''
IUPAC Name: 2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile
Structure
SMILES: COC1=CC=C2C3=CC=C4C=C5OCOC5=CC4=C3N(C)[C@H]([C@H](C)C3=CC(C#N)=CC=N3)C2=C1OC
InChI: InChI=1S/C29H25N3O4/c1-16(22-11-17(14-30)9-10-31-22)27-26-19(7-8-23(33-3)29(26)34-4)20-6-5-18-12-24-25(36-15-35-24)13-21(18)28(20)32(27)2/h5-13,16,27H,15H2,1-4H3/t16-,27-/m1/s1
InChIKey: OIRFYVWUJLJIKS-CHAGWJKLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum ailanthoides | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 479.5360000000002
TPSA？: 76.84
MolLogP？: 5.813980000000005
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|