Molecule

Diatretol

AlkaPlorer ID: AK020096

Synonym: None

IUPAC Name: (3R,6S)-3-benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione

Structure

SMILES: CO[C@]1(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)/t15-,16+/m1/s1

InChIKey: NDEDJEICWCDGNY-CVEARBPZSA-N

Reference

Secondary Mould Metabolites, LII. Structure Elucidation of Diatretol – A New Diketopiperazine Metabolite from the Fungus <i>Clitocybe diatreta</i>

PubChem CID: 15294183

LOTUS: LTS0024866

SuperNatural Ⅲ: SN0242269-05

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NPAtlas: NPA000649

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Clitocybe diatreta	Clitocybe	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