Amabiline; 3'-Epimer, O3'-Me, N-oxide
AlkaPlorer ID: AK284088
Synonym: Heleurine N-oxide
IUPAC Name: (4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Structure
SMILES: COC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCCC12)C(C)C
InChI: InChI=1S/C16H27NO5/c1-11(2)16(19,12(3)21-4)15(18)22-10-13-7-9-17(20)8-5-6-14(13)17/h7,11-12,14,19H,5-6,8-10H2,1-4H3
InChIKey: JOPJYQKWCBEYGN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium hirsutissimum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.394
TPSA？: 78.82000000000001
MolLogP？: 1.3685999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|