Spiramine U
AlkaPlorer ID: AK077546
Synonym: '', 'Thalicsiline', 'Spiramine T', '(-)-Thalicsiline'
IUPAC Name: [(1R,2R,4S,5S,7S,8S,12S,13S,18S,20R,21S)-4-hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@@H]2O[C@@H]3N4CCO[C@H]4[C@@]4(C)CCC[C@@]3([C@@H]14)[C@H]1C[C@@H]3CC[C@]21C[C@]3(C)O
InChI: InChI=1S/C24H35NO5/c1-13(26)29-16-17-21(2)6-4-7-24(17)15-11-14-5-8-23(15,12-22(14,3)27)18(16)30-20(24)25-9-10-28-19(21)25/h14-20,27H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-,22-,23+,24-/m0/s1
InChIKey: ZVGHBOHWOUTHNI-MEJYRWLCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum javanicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.54600000000016
TPSA？: 68.23
MolLogP？: 2.6787000000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|