karakin
AlkaPlorer ID: AK356745
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Structure
SMILES: O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O
InChI: InChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(23)14(32-10(20)2-5-17(26)27)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1
InChIKey: CNURKUNYCXCBEK-WMNSZERYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astragalus canadensis | Astragalus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 483.3390000000002
TPSA？: 258.01
MolLogP？: -2.568299999999996
Number of H-Donors: 2
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aedes aegypti | Aedes aegypti | Activity | 0.0 | % | 10.1021/acs.jnatprod.2c00788 |
| Aedes aegypti | Aedes aegypti | Activity | 20.0 | % | 10.1021/acs.jnatprod.2c00788 |
| Aedes aegypti | Aedes aegypti | Activity | 60.0 | % | 10.1021/acs.jnatprod.2c00788 |
| None | ADMET | Activity | nan | None | 10.1021/acs.jnatprod.2c00788 |