(E)-N-{4,4,8-trimethyltricyclo[6.3.1.0¹,?]dodec-2-en-2-yl}carboximidic acid
AlkaPlorer ID: AK145140
Synonym: None
IUPAC Name: N-[(1S,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodec-2-enyl]formamide
Structure
SMILES: CC1(C)C=C(N=CO)[C@]23CCC[C@](C)(CC[C@@H]12)C3
InChI: InChI=1S/C16H25NO/c1-14(2)9-13(17-11-18)16-7-4-6-15(3,10-16)8-5-12(14)16/h9,11-12H,4-8,10H2,1-3H3,(H,17,18)/t12-,15+,16-/m0/s1
InChIKey: RQTIGQNOHSJVTD-MAZHCROVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidia ocellata | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 247.38199999999992
TPSA？: 32.59
MolLogP？: 4.473100000000004
Number of H-Donors: 1
Number of H-Acceptors: 1
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 |