Phaeosphaone D
AlkaPlorer ID: AK323763
Synonym: None
IUPAC Name: (3S,6S)-3-[(R)-1H-indol-3-yl(methylsulfanyl)methyl]-3-methoxy-1-methyl-6-methylsulfanyl-6-propan-2-ylpiperazine-2,5-dione
Structure
SMILES: CO[C@@]1([C@H](SC)C2=CNC3=CC=CC=C23)NC(=O)[C@@](SC)(C(C)C)N(C)C1=O
InChI: InChI=1S/C20H27N3O3S2/c1-12(2)20(28-6)17(24)22-19(26-4,18(25)23(20)3)16(27-5)14-11-21-15-10-8-7-9-13(14)15/h7-12,16,21H,1-6H3,(H,22,24)/t16-,19-,20+/m1/s1
InChIKey: MMJIEYVVWHZRDB-AHRSYUTCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 421.58800000000025
TPSA？: 74.43
MolLogP？: 3.218200000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 33200.0 | nM | 10.1021/acs.jnatprod.0c00046 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.0c00046 |