Acorientine
AlkaPlorer ID: AK162434
Synonym: '(+)-Acorientine'
IUPAC Name: (1R,5R,8R,9S,10R,11S,13R,14S,16R,17R,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-10,13,16-triol
Structure
SMILES: C=C1[C@@H](O)[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2C[C@@H]1[C@@H](O)[C@@H]3[C@H]7N4C6
InChI: InChI=1S/C20H27NO3/c1-9-10-6-11-18-5-3-4-17(2)8-21-14(18)12(13(10)22)19(11,15(9)23)7-20(21,24)16(17)18/h10-16,22-24H,1,3-8H2,2H3/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19-,20+/m0/s1
InChIKey: BHVWAUOMLOBXRD-HTLPRFNZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum orientale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.44
TPSA？: 63.93
MolLogP？: 1.1132
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|