1-isothiocyanato-4,4,8-trimethyltricyclo[6.3.1.0²,?]dodecane
AlkaPlorer ID: AK130994
Synonym: None
IUPAC Name: (1S,2R,5R,8R)-1-isothiocyanato-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane
Structure
SMILES: CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)CCC[C@]2(N=C=S)C1
InChI: InChI=1S/C16H25NS/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)17-11-18/h12-13H,4-10H2,1-3H3/t12-,13-,15-,16+/m1/s1
InChIKey: DAZOUEIRWBZBJQ-XOUADPBQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidia ocellata | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.45
TPSA？: 12.36
MolLogP？: 4.864400000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | GI | 50.0 | % | 10.1021/acs.jnatprod.5b00354 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.5b00354 |