Echiumine; N-Oxide
AlkaPlorer ID: AK297273
Synonym: Echiumine N-oxide
IUPAC Name: [7-(2-methylbut-2-enoyloxy)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
InChI: InChI=1S/C20H31NO7/c1-6-13(4)18(23)28-16-8-10-21(26)9-7-15(17(16)21)11-27-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3
InChIKey: MTHHNSCIBYQVSB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium plantagineum | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4680000000001
TPSA？: 116.12
MolLogP？: 1.2024
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|