Calpurnine
AlkaPlorer ID: AK036741
Synonym: 'Calpurnine', 'Oroboidine', 'Hoe 933'
IUPAC Name: [(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate
Structure
SMILES: O=C(O[C@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1)C1=CC=CN1
InChI: InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13-,14+,15+,17-,18+/m1/s1
InChIKey: YFRYJFMFQOBOSY-WBOSRHFRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Virgilia oroboides | Virgilia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.454
TPSA？: 65.64
MolLogP？: 2.0352999999999994
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|