Peripentadenine
AlkaPlorer ID: AK309801
Synonym: N-[3-[2-[2-(2-Hydroxy-6-methylphenyl)-2-oxoethyl]-1-pyrrolidinyl]propyl]hexanamide
IUPAC Name: N-[3-[2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]pyrrolidin-1-yl]propyl]hexanamide
Structure
SMILES: CCCCCC(O)=NCCCN1CCCC1CC(=O)C1=C(C)C=CC=C1O
InChI: InChI=1S/C22H34N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,25H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27)
InChIKey: LZFMYZNYVOKFEE-UHFFFAOYSA-N
Reference
PubChem CID: 159059
CAS: 87201-37-4
LOTUS: LTS0223293
NPASS: NPC476444
COCONUT: CNP0234680.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peripentadenia mearsii | Peripentadenia | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 374.525
TPSA？: 73.13000000000001
MolLogP？: 4.664720000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Delta opioid receptor | IC50 | 11400.0 | nM | 10.1021/np070516x |