(1S,7aR)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2R)-2-methylbutanoate
AlkaPlorer ID: AK023581
Synonym: None
IUPAC Name: [(1R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbutanoate
Structure
SMILES: CCC(C)C(=O)O[C@@H]1CCN2CC=C(CO)C12
InChI: InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h4,9,11-12,15H,3,5-8H2,1-2H3/t9?,11-,12?/m1/s1
InChIKey: NSBSOFPYQQNEGC-CKBZRRDASA-N
Reference
Pyrrolizidine and tetrahydroisoquinoline alkaloids from Echium humile
PubChem CID: 6431049
LOTUS: LTS0242047
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium humile | Echium | Boraginaceae | Boraginales | 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 |
|---|