Rostratin A; 9-Epimer, 5-ketone
AlkaPlorer ID: AK312705
Synonym: Epicoccin T
IUPAC Name: 5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12-trione
Structure
SMILES: O=C1CCC(O)C2C1CC13SSC4(CC5C(O)CCC(O)C5N4C1=O)C(=O)N23
InChI: InChI=1S/C18H22N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-9,11-14,21,23-24H,1-6H2
InChIKey: ZJUQZCAFDJFOTB-UHFFFAOYSA-N
Reference
Thiodiketopiperazines Produced by the Endophytic Fungus <i>Epicoccum nigrum</i>
PubChem CID: 56664189
LOTUS: LTS0028993
COCONUT: CNP0292812.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizophyllum commune | Schizophyllum | Schizophyllaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Epicoccum nigrum | Epicoccum | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 426.5160000000002
TPSA？: 118.37999999999998
MolLogP？: -0.5388000000000004
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|