Spiramine A
AlkaPlorer ID: AK046843
Synonym: 'Spiramine D acetate', '', 'Spiramine B', 'Spiramine A'
IUPAC Name: [(1R,2S,3S,5S,7R,8R,12R,13R,18S,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
Structure
SMILES: C=C1[C@H]2CC[C@@]3([C@@H](C2)[C@]24CCC[C@]5(C)[C@H]2C[C@H]3O[C@@H]4N2CCO[C@@H]25)[C@H]1OC(C)=O
InChI: InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21-,22+,23-,24-/m0/s1
InChIKey: ZPELMDXCJZDIBP-SZAZYLQYSA-N
Reference
Diterpene alkaloids from roots of Spiraea japonica
PubChem CID: 162822807
LOTUS: LTS0168937
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.5310000000002
TPSA？: 48.0
MolLogP？: 3.483900000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|