Schoberine
AlkaPlorer ID: AK105418
Synonym: ''
IUPAC Name: (2S,9S,13S,17R)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
Structure
SMILES: C1C[C@H]2CCCN3[C@H]2[C@@H](C1)CN1CCCC[C@@H]13
InChI: InChI=1S/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
InChIKey: ZUZDBCDZKDLXPJ-ZQDZILKHSA-N
Reference
The structure of the alkaloid nitraramine fromNitraria schoberi
PubChem CID: 7278936
LOTUS: LTS0101777
SuperNatural Ⅲ: SN0480972-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nitraria sibirica | Nitraria | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 234.387
TPSA？: 6.48
MolLogP？: 2.692700000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepacivirus hominis | Hepatitis C virus | EC50 | 7350.0 | nM | 10.1021/acs.jnatprod.5b00543 |
| None | ADMET | CC50 | 95890.0 | nM | 10.1021/acs.jnatprod.5b00543 |
| None | ADMET | Ratio CC50/EC50 | 13.0 | None | 10.1021/acs.jnatprod.5b00543 |