2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol; (7R,8R)-form, 7-O-(3-Methylbutanoyl)
AlkaPlorer ID: AK315360
Synonym: O7-(3-Methylbutanoyl)retronecine
IUPAC Name: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 3-methylbutanoate
Structure
SMILES: CC(C)CC(=O)OC1CCN2CC=C(CO)C12
InChI: InChI=1S/C13H21NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,9,11,13,15H,4-8H2,1-2H3
InChIKey: SWCIESZPKCXJQZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria scassellatii | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.315
TPSA？: 49.77
MolLogP？: 0.9509
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|