Supinine N-oxide
AlkaPlorer ID: AK000034
Synonym: None
IUPAC Name: [(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: C[C@@H](C(C(C)C)(C(=O)OCC1=CC[N@+]2(C1CCC2)[O-])O)O
InChI: InChI=1S/C15H25NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-6-8-16(20)7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13?,15?,16+/m0/s1
InChIKey: ZKRKVSLSTMOPAL-SXSDBLRQSA-N
Reference
Pro-toxic dehydropyrrolizidine alkaloids in the traditional Andean herbal medicine “asmachilca”
PubChem CID: 32319
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tagetes minuta | Tagetes | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Achyrocline flaccida | Achyrocline | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.36699999999996
TPSA？: 89.82000000000001
MolLogP？: 0.7144999999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|