Lehmannine
AlkaPlorer ID: AK006516
Synonym: '(+)-Lehmannine', 'Lemannine'
IUPAC Name: (1S,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one
Structure
SMILES: O=C1CC=C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34
InChI: InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6,11-13,15H,2-5,7-10H2/t11-,12+,13+,15-/m0/s1
InChIKey: WUVYENIUARJBNM-JLNYLFASSA-N
Reference
An investigation of the alkaloids of Ammothamnus lehmanni the structure of lehmannine
PubChem CID: 3041752
CAS: 58480-54-9
LOTUS: LTS0084356
SuperNatural Ⅲ: SN0420636-02
NPASS: NPC308050
Source
Properties Information
Molecule Weight: 246.354
TPSA？: 23.550000000000004
MolLogP？: 1.6477
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | Activity | 22.6 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 25.1 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 25.4 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 52.6 | % | 10.1016/j.bmcl.2005.11.073 |
| Homo sapiens | HepG2 | Activity | 25.0 | % | 10.1016/j.bmcl.2005.11.073 |