Intermedine; 7-O-(3-Methyl-2-butenoyl), N-oxide
AlkaPlorer ID: AK302612
Synonym: Echiupinine N-oxide
IUPAC Name: [7-(3-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)=CC(=O)OC1CC[N+]2([O-])CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
InChI: InChI=1S/C20H31NO7/c1-12(2)10-17(23)28-16-7-9-21(26)8-6-15(18(16)21)11-27-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3
InChIKey: MLQOGSMNSYRZHD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium pininana | 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 |
|---|