Phaeosphaone C
AlkaPlorer ID: AK323766
Synonym: None
IUPAC Name: (3S,6S)-3-hydroxy-3-[(R)-1H-indol-3-yl(methylsulfanyl)methyl]-1-methyl-6-methylsulfanyl-6-propan-2-ylpiperazine-2,5-dione
Structure
SMILES: CS[C@H](C1=CNC2=CC=CC=C12)[C@]1(O)NC(=O)[C@@](SC)(C(C)C)N(C)C1=O
InChI: InChI=1S/C19H25N3O3S2/c1-11(2)19(27-5)16(23)21-18(25,17(24)22(19)3)15(26-4)13-10-20-14-9-7-6-8-12(13)14/h6-11,15,20,25H,1-5H3,(H,21,23)/t15-,18-,19+/m1/s1
InChIKey: YNHWBYDWKYIJRH-LZQZEXGQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 407.5610000000002
TPSA？: 85.43
MolLogP？: 2.5641
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.0c00046 |