Supinine
AlkaPlorer ID: AK011949
Synonym: '', 'Amabiline', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-', 'Supinine', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester', 'amabiline'
IUPAC Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC(C)[C@@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)C(C)O
InChI: InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11?,13-,15-/m0/s1
InChIKey: DRVWTOSBCBKXOR-MONRWBKMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eupatorium cannabinum | Eupatorium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Heliotropium indicum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cynoglossum zeylanicum | Cynoglossum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 283.36799999999994
TPSA？: 70.0
MolLogP？: 0.7018999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|