3-Benzyl-3,6-dihydroxy-6-(2-methylpropyl)-2,5-piperazinedione; (3R*,6S*)-form, 6-Me ether
AlkaPlorer ID: AK290454
Synonym: Diatretol
IUPAC Name: 3-benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
Structure
SMILES: COC1(CC(C)C)N=C(O)C(O)(CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C16H22N2O4/c1-11(2)9-16(22-3)14(20)17-15(21,13(19)18-16)10-12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKey: NDEDJEICWCDGNY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clitocybe diatreta | Clitocybe | Clitocybaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Lepista sordida | Lepista | Clitocybaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 306.362
TPSA？: 94.64
MolLogP？: 2.2331
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|