Mycodiketopiperazine
AlkaPlorer ID: AK297579
Synonym: None
IUPAC Name: 8,19-dihydroxy-1,12-bis(methylsulfanyl)-6,17-dioxa-3,14-diazaheptacyclo[12.8.0.03,12.04,10.05,7.015,21.016,18]docosa-9,20-diene-2,13-dione
Structure
SMILES: CSC12CC3=CC(O)C4OC4C3N1C(=O)C1(SC)CC3=CC(O)C4OC4C3N1C2=O
InChI: InChI=1S/C20H22N2O6S2/c1-29-19-5-7-3-9(23)13-15(27-13)11(7)21(19)18(26)20(30-2)6-8-4-10(24)14-16(28-14)12(8)22(20)17(19)25/h3-4,9-16,23-24H,5-6H2,1-2H3
InChIKey: OEIROMRXQGXKHD-UHFFFAOYSA-N
Reference
Mycoediketopiperazine, a novel fungal metabolite from a Papularia sp.
PubChem CID: 85429528
CAS: 136993-67-4
LOTUS: LTS0085237
COCONUT: CNP0111833.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigrospora sphaerica | Nigrospora | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 450.5380000000002
TPSA？: 106.14
MolLogP？: -0.5430000000000004
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|