Denudatine
AlkaPlorer ID: AK013184
Synonym: '', 'Denudatine'
IUPAC Name: (1S,5R,8R,10S,11R,14S)-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=C1C2CC[C@@]3(C4CC5[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-/m0/s1
InChIKey: OVXLNQAYPUEDSI-ZELDGSOFSA-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 |
|---|