Kobusine
AlkaPlorer ID: AK082348
Synonym: ''
IUPAC Name: (1S,5S,8R,9S,11R,13R,14R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
Structure
SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O
InChI: InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16-,17-,18-,19+,20-/m1/s1
InChIKey: SYQIMSBCRURKCZ-ONZZGSHQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum orientale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.441
TPSA？: 43.7
MolLogP？: 1.7932
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|