Spiramine I
AlkaPlorer ID: AK486686
Synonym: None
IUPAC Name: [13-(2-hydroxyethyl)-11-methyl-5-methylidene-18-oxo-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-yl] acetate
Structure
SMILES: C=C1C2CC(=O)C3(CCC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1OC(C)=O
InChI: InChI=1S/C24H35NO4/c1-15-17-11-19-23-7-4-6-22(3,13-25(14-23)9-10-26)18(23)5-8-24(19,20(28)12-17)21(15)29-16(2)27/h17-19,21,26H,1,4-14H2,2-3H3
InChIKey: PDEBVCFOOWUIQC-UHFFFAOYSA-N
Reference
Five diterpene alkaloids from Spiraea japonica (Rosaceae)
PubChem CID: 163067591
CAS: 142761-31-7
LOTUS: LTS0078885
COCONUT: CNP0359115.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 401.5470000000002
TPSA？: 66.84
MolLogP？: 2.964100000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|