3-Amino-5,6,7,7a-tetrahydro-1H-pyrrolizin-1-one; (ξ)-form, N3-Hexanoyl
AlkaPlorer ID: AK287538
Synonym: Pyrrolizixenamide A
IUPAC Name: N-(1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl)hexanamide
Structure
SMILES: CCCCCC(=O)NC1=CC(=O)C2CCCN12
InChI: InChI=1S/C13H20N2O2/c1-2-3-4-7-13(17)14-12-9-11(16)10-6-5-8-15(10)12/h9-10H,2-8H2,1H3,(H,14,17)
InChIKey: UBNNPLDHPRBMNV-UHFFFAOYSA-N
Reference
Structure, Biosynthesis, and Occurrence of Bacterial Pyrrolizidine Alkaloids
PubChem CID: 139585551
LOTUS: LTS0126711
COCONUT: CNP0352160.1
{NPAtlas: NPA008791
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Xenorhabdus stockiae | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 236.315
TPSA？: 49.41
MolLogP？: 1.5714
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|