Lupanine
AlkaPlorer ID: AK002102
Synonym: None
IUPAC Name: (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Structure
SMILES: O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3
InChI: InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1
InChIKey: JYIJIIVLEOETIQ-XDQVBPFNSA-O
Reference
Alkaloids of Thermopsis Lupinoides
PubChem CID: 6987464
LOTUS: LTS0193393
SuperNatural Ⅲ: SN0178619-12
NPASS: NPC271803
Source
Properties Information
Molecule Weight: 249.378
TPSA？: 24.750000000000004
MolLogP？: 0.4546000000000013
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 5000.0 | nM | 10.1021/np50111a026 |
| None | Unchecked | IC50 | 114000.0 | nM | 10.1021/np50111a026 |