Spiramine R
AlkaPlorer ID: AK075017
Synonym: '(-)-Spiramine R'
IUPAC Name: [(1S,5R,8R,10S,11R,12R,14S,16S,17R)-3-(2-hydroxyethyl)-5-methyl-13-methylidene-4-oxo-9-oxa-3-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-yl] acetate
Structure
SMILES: C=C1[C@H]2CC[C@]3([C@@H](C2)[C@]24CN(CCO)C(=O)[C@]5(C)CC[C@H]2O[C@H]3C[C@H]45)[C@@H]1OC(C)=O
InChI: InChI=1S/C24H33NO5/c1-13-15-4-7-23(20(13)29-14(2)27)17(10-15)24-12-25(8-9-26)21(28)22(3)6-5-18(24)30-19(23)11-16(22)24/h15-20,26H,1,4-12H2,2-3H3/t15-,16-,17+,18+,19-,20+,22+,23+,24+/m0/s1
InChIKey: FMOXTYQIUUYGOB-OUXJVHRMSA-N
Reference
Diterpene alkaloids from roots of Spiraea japonica
PubChem CID: 163068023
LOTUS: LTS0126459
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.5300000000002
TPSA？: 76.07
MolLogP？: 2.2989
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|