Nitrarine
AlkaPlorer ID: AK151323
Synonym: ''
IUPAC Name: (2S,16S,21R)-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]1C2CCC([C@H]4CCCN[C@@H]24)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+/m1/s1
InChIKey: SBGPASZOVGSOFJ-AFNOLGPFSA-N
Reference
Alkaloids of Nitraria komarovii. XIII. Nitramine N-oxide and the structure of dehydroschoberine
PubChem CID: 129895246
LOTUS: LTS0003072
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 |
|---|