Spiramine W
AlkaPlorer ID: AK074951
Synonym: '', '(-)-Spiramine P', '(-)-Spiramine Q', 'Spiramine P', 'Spiramine Q'
IUPAC Name: (1S,2R,4R,5S,7R,8R,12R,13R,18R,20S,21R)-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosane-4,20-diol
Structure
SMILES: C[C@@]12CCC[C@@]34[C@@H]1[C@H](O)[C@@H](O[C@H]3N1CCO[C@@H]12)[C@@]12CC[C@@H](C[C@H]14)[C@](C)(O)C2
InChI: InChI=1S/C22H33NO4/c1-19-5-3-6-22-13-10-12-4-7-21(13,11-20(12,2)25)16(14(24)15(19)22)27-18(22)23-8-9-26-17(19)23/h12-18,24-25H,3-11H2,1-2H3/t12-,13+,14-,15+,16+,17+,18+,19+,20+,21+,22+/m0/s1
InChIKey: URFSNQGBOARTFK-GSZXANGGSA-N
Reference
Diterpene alkaloids from roots of Spiraea japonica
PubChem CID: 154497764
LOTUS: LTS0132069
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.5090000000002
TPSA？: 62.16000000000001
MolLogP？: 2.1079
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|