Anagyrine
AlkaPlorer ID: AK008458
Synonym: 'Thermospine', '(-)-Thermopsine', 'THERMOPSINE,1-', '(-)-Anagyrine', "7,14-Methano-4H,6H-dipyrido1,2-a:1',2'-e1,5diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, 7R-(7.alpha.,7a.alpha.,14.alpha.)-", 'Anagyrine', 'Thermopsine'
IUPAC Name: (1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
Structure
SMILES: O=C1C=CC=C2[C@@H]3C[C@H](CN21)[C@@H]1CCCCN1C3
InChI: InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1
InChIKey: FQEQMASDZFXSJI-UPJWGTAASA-N
Reference
THE ALKALOIDS OF <i>THERMOPSIS RHOMBIFOLIA</i> (NUTT.) RICHARDS
PubChem CID: 638234
LOTUS: LTS0136977
SuperNatural Ⅲ: SN0092529-08
NPASS: NPC78058
Source
Properties Information
Molecule Weight: 244.338
TPSA？: 25.24
MolLogP？: 1.8199
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | -12.51 | % | 10.6019/CHEMBL4296182 |
| Candida albicans | Candida albicans | Inhibition | -0.36 | % | 10.6019/CHEMBL4296182 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -3.93 | % | 10.6019/CHEMBL4296182 |
| Equus caballus | Ferritin light chain | Potency | 50118.7 | nM | None |
| Escherichia coli | Escherichia coli | Inhibition | 5.34 | % | 10.6019/CHEMBL4296182 |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 8.7 | % | 10.6019/CHEMBL4296182 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 2.05 | % | 10.6019/CHEMBL4296182 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 6.92 | % | 10.6019/CHEMBL4296182 |