Pseudellone A
AlkaPlorer ID: AK101705
Synonym: None
IUPAC Name: (1'R,3R,4'S)-1',7'-dimethylspiro[1H-indole-3,3'-2-thia-5,7-diazabicyclo[2.2.2]octane]-2,6',8'-trione
Structure
SMILES: CN1C(=O)[C@@H]2N=C(O)[C@@]1(C)S[C@@]21C(O)=NC2=CC=CC=C21
InChI: InChI=1S/C14H13N3O3S/c1-13-11(19)16-9(10(18)17(13)2)14(21-13)7-5-3-4-6-8(7)15-12(14)20/h3-6,9H,1-2H3,(H,15,20)(H,16,19)/t9-,13+,14+/m0/s1
InChIKey: JWGKPMGYZPIUOY-CUOATXAZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudallescheria ellipsoidea | Pseudallescheria | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 303.343
TPSA？: 85.49000000000001
MolLogP？: 1.7436
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|