None
AlkaPlorer ID: AK323345
Synonym: None
IUPAC Name: 1-(2-hydroxy-6-methylphenyl)-2-[1-(3-hydroxypropyl)pyrrolidin-2-yl]ethanone
Structure
SMILES: CC1=CC=CC(O)=C1C(=O)CC1CCCN1CCCO
InChI: InChI=1S/C16H23NO3/c1-12-5-2-7-14(19)16(12)15(20)11-13-6-3-8-17(13)9-4-10-18/h2,5,7,13,18-19H,3-4,6,8-11H2,1H3
InChIKey: LGOWQPSLSYUFEO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elaeocarpus angustifolius | Elaeocarpus | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 277.364
TPSA？: 60.77
MolLogP？: 2.12022
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 | Butyrylcholinesterase | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.8b01027 |