None
AlkaPlorer ID: AK323768
Synonym: None
IUPAC Name: (3S,6S)-3-(1H-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)-6-propan-2-ylpiperazine-2,5-dione
Structure
SMILES: CS[C@]1(CC2=CNC3=CC=CC=C23)N=C(O)[C@@](SC)(C(C)C)N=C1O
InChI: InChI=1S/C18H23N3O2S2/c1-11(2)18(25-4)16(23)20-17(24-3,15(22)21-18)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,9H2,1-4H3,(H,20,23)(H,21,22)/t17-,18-/m0/s1
InChIKey: JXDWMFMAEDSXNI-ROUUACIJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 377.53500000000014
TPSA？: 80.97
MolLogP？: 4.411600000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.0c00046 |