Nitrarine
AlkaPlorer ID: AK151325
Synonym: ''
IUPAC Name: (1S,2R,15R,16R,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-3(11),5,7,9-tetraene
Structure
SMILES: C1=CC=C2C3=C(NC2=C1)[C@H]1[C@H]2CC[C@H]([C@@H]4CCCN[C@@H]42)N1CC3
InChI: InChI=1S/C20H25N3/c1-2-6-16-12(4-1)13-9-11-23-17-8-7-15(20(23)19(13)22-16)18-14(17)5-3-10-21-18/h1-2,4,6,14-15,17-18,20-22H,3,5,7-11H2/t14-,15-,17+,18-,20+/m0/s1
InChIKey: SBGPASZOVGSOFJ-CHBAHTGHSA-N
Reference
Alkaloids from<i>Nitraria billardieri</i>
PubChem CID: 398797
CAS: 20069-03-8
LOTUS: LTS0191305
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nitraria schoberi | Nitraria | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 307.44100000000003
TPSA？: 31.06
MolLogP？: 3.227500000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |