Denudatine
AlkaPlorer ID: AK013186
Synonym: '', 'Denudatine'
IUPAC Name: (1S,5R,8R,11R,14S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
Structure
SMILES: C=C1C2CCC3(C4C[C@@H]5[C@@]6(C)CCC[C@]5(C3[C@H]2O)[C@@H]4N(CC)C6)[C@@H]1O
InChI: InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13?,14?,15-,16+,17?,18-,19-,20+,21?,22+/m1/s1
InChIKey: OVXLNQAYPUEDSI-RQRZGUFWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum japonicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum carmichaelii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.5110000000001
TPSA？: 43.7
MolLogP？: 2.821000000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 31.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | -3.48 | None | 10.6019/CHEMBL4888484 |