2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol; (7R,8R)-form, 7-O-(3-Methylbutanoyl), N-oxide
AlkaPlorer ID: AK315361
Synonym: O7-(3-Methylbutanoyl)retronecine N-oxide
IUPAC Name: [7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 3-methylbutanoate
Structure
SMILES: CC(C)CC(=O)OC1CC[N+]2([O-])CC=C(CO)C12
InChI: InChI=1S/C13H21NO4/c1-9(2)7-12(16)18-11-4-6-14(17)5-3-10(8-15)13(11)14/h3,9,11,13,15H,4-8H2,1-2H3
InChIKey: HKAUZBBFQWECKC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria scassellatii | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.314
TPSA？: 69.59
MolLogP？: 0.9634999999999998
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|