Peripentonine C
AlkaPlorer ID: AK163559
Synonym: None
IUPAC Name: 2-[(2S)-1-[3-(hexanoylamino)propyl]pyrrolidin-2-yl]acetic acid
Structure
SMILES: CCCCCC(O)=NCCCN1CCC[C@H]1CC(=O)O
InChI: InChI=1S/C15H28N2O3/c1-2-3-4-8-14(18)16-9-6-11-17-10-5-7-13(17)12-15(19)20/h13H,2-12H2,1H3,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKey: BSDQBQJWQLLFQD-ZDUSSCGKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peripentadenia mearsii | Peripentadenia | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 284.3999999999999
TPSA？: 73.13000000000001
MolLogP？: 2.852400000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Delta opioid receptor | IC50 | 30900.0 | nM | 10.1021/np070516x |