3-(Mercaptomethyl)-2,5-piperazinedione; (R)-form, S-(4-Hydroxybenzyl)
AlkaPlorer ID: AK305576
Synonym: 3-(4-Hydroxybenzylthiomethyl)-2,5-piperazinedione
IUPAC Name: 3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione
Structure
SMILES: OC1=NC(CSCC2=CC=C(O)C=C2)C(O)=NC1
InChI: InChI=1S/C12H14N2O3S/c15-9-3-1-8(2-4-9)6-18-7-10-12(17)13-5-11(16)14-10/h1-4,10,15H,5-7H2,(H,13,17)(H,14,16)
InChIKey: FFXOQJNFBBVFNA-UHFFFAOYSA-N
Reference
Minor constituents from the tubers of<i>Gymnadenia conopsea</i>
PubChem CID: 162956814
LOTUS: LTS0238929
COCONUT: CNP0227751.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnadenia conopsea | Gymnadenia | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 266.32200000000006
TPSA？: 85.41000000000001
MolLogP？: 1.9206
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|