(3R,6S)-3-[(4-hydroxyphenyl)methyl]-6-isopropylpiperazine-2,5-dione
AlkaPlorer ID: AK253146
Synonym: None
IUPAC Name: (3R,6S)-3-[(4-hydroxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C14H18N2O3/c1-8(2)12-14(19)15-11(13(18)16-12)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1
InChIKey: LMDVFSHGYANGRP-NEPJUHHUSA-N
Reference
Minor constituents from the tubers of<i>Gymnadenia conopsea</i>
PubChem CID: 124584755
LOTUS: LTS0034322
SuperNatural Ⅲ: SN0209329-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnadenia conopsea | Gymnadenia | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 262.309
TPSA？: 85.41000000000001
MolLogP？: 2.2545
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -19.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 2.03 | None | 10.6019/CHEMBL4888484 |