Mycoediketopiperazine
AlkaPlorer ID: AK041754
Synonym: None
IUPAC Name: (1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-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: CS[C@@]12CC3=C[C@H](O)[C@@H]4O[C@@H]4[C@H]3N1C(=O)[C@]1(SC)CC3=C[C@H](O)[C@@H]4O[C@@H]4[C@H]3N1C2=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/t9-,10-,11-,12-,13-,14-,15+,16+,19+,20+/m0/s1
InChIKey: OEIROMRXQGXKHD-QMRLQHLMSA-N
Reference
Mycoediketopiperazine, a novel fungal metabolite from a Papularia sp.
PubChem CID: 11190171
LOTUS: LTS0025472
SuperNatural Ⅲ: SN0263150-01
{NPAtlas: NPA011225
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigrospora oryzae | 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 |
|---|