Cyclo(tryptophylvalyl); (3S,6S)-form, N1'-(3-Methyl-2-butenyl)
AlkaPlorer ID: AK293900
Synonym: Antibiotic M3, M3
IUPAC Name: 3-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione
Structure
SMILES: CC(C)=CCN1C=C(CC2NC(=O)C(C(C)C)NC2=O)C2=CC=CC=C21
InChI: InChI=1S/C21H27N3O2/c1-13(2)9-10-24-12-15(16-7-5-6-8-18(16)24)11-17-20(25)23-19(14(3)4)21(26)22-17/h5-9,12,14,17,19H,10-11H2,1-4H3,(H,22,26)(H,23,25)
InChIKey: MGOFATRHLJYLQK-UHFFFAOYSA-N
Reference
Novel Antifungal Diketopiperazine from Marine Fungus.
PubChem CID: 10959141
COCONUT: CNP0355100.1
{NPAtlas: NPA010342
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Porphyra | Bangiaceae | Bangiales | Bangiophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 353.4660000000001
TPSA？: 63.13
MolLogP？: 2.7892
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pyricularia oryzae | Pyricularia oryzae | MIC | 0.127 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |
| Pyricularia oryzae | Pyricularia oryzae | MIC | 360.0 | nM | 10.1016/j.ejmech.2020.112945 |