Torokonine
AlkaPlorer ID: AK083619
Synonym: ''
IUPAC Name: [(1R,3S,5R,8R,9S,11S,13R,14S,15S,16R,17R,18R)-13,15,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate
Structure
SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)C7=CC=CC=C7)C[C@@]47[C@@H]6[C@@H]5[C@@H](O)[C@]3([C@@H]1O)[C@@]7(O)C2
InChI: InChI=1S/C27H31NO5/c1-13-15-8-17-20-25-11-16(33-23(31)14-6-4-3-5-7-14)10-24(2)12-28(20)18(19(24)25)22(30)27(17,21(13)29)26(25,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16-,17+,18+,19+,20+,21+,22+,24-,25+,26+,27-/m0/s1
InChIKey: XTEJUMNLNFNNRO-VWBQMHAKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum japonicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5470000000002
TPSA？: 90.23
MolLogP？: 1.7435999999999994
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|