(3R)-3-({[(4-hydroxyphenyl)methyl]sulfanyl}methyl)piperazine-2,5-dione
AlkaPlorer ID: AK262569
Synonym: None
IUPAC Name: (3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione
Structure
SMILES: OC1=N[C@@H](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)/t10-/m0/s1
InChIKey: FFXOQJNFBBVFNA-JTQLQIEISA-N
Reference
Minor constituents from the tubers of<i>Gymnadenia conopsea</i>
PubChem CID: 131846281
LOTUS: LTS0060589
SuperNatural Ⅲ: SN0084647-01
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 |
|---|