None
AlkaPlorer ID: AK324716
Synonym: None
IUPAC Name: (5S)-3-[(E,2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Structure
SMILES: C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(O)[C@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C21H27NO4/c1-4-5-6-13(2)11-14(3)19(24)18-20(25)17(22-21(18)26)12-15-7-9-16(23)10-8-15/h4-5,7-10,13-14,17,23,25H,6,11-12H2,1-3H3,(H,22,26)/b5-4+/t13-,14-,17-/m0/s1
InChIKey: SZIBGOQURMMUNF-NASQOASYSA-N
Reference
NPASS: NPC488965
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tolypocladium sp. 49Y | Tolypocladium | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 357.45000000000005
TPSA？: 90.12
MolLogP？: 4.283100000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |
| Escherichia coli | Escherichia coli | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |