2-isocyano-4,4,8-trimethyltricyclo[6.3.1.0¹,?]dodecane
AlkaPlorer ID: AK322224
Synonym: None
IUPAC Name: (1S,2R,5S,8R)-2-isocyano-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane
Structure
SMILES: [C-]#[N+][C@@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@]12C3
InChI: InChI=1S/C16H25N/c1-14(2)10-13(17-4)16-8-5-7-15(3,11-16)9-6-12(14)16/h12-13H,5-11H2,1-3H3/t12-,13+,15+,16-/m0/s1
InChIKey: PSBRPKOFUPGRBE-XNISGKROSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidia ocellata | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 231.38299999999992
TPSA？: 4.36
MolLogP？: 4.680890000000004
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | GI | 98.3 | % | 10.1021/acs.jnatprod.5b00354 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 290.0 | nM | 10.1021/acs.jnatprod.5b00354 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 830.0 | nM | 10.1021/acs.jnatprod.5b00354 |
| None | Unchecked | Ratio IC50 | 45.0 | None | 10.1021/acs.jnatprod.5b00354 |