4-hydroxy-5-(1-hydroxyethyl)-1-methyl-3-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
AlkaPlorer ID: AK133923
Synonym: None
IUPAC Name: 3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione
Structure
SMILES: CC(O)C1C(O)=C(C(=O)[C@H]2[C@@H]3CCCC[C@H]3C=C[C@H]2C)C(=O)N1C
InChI: InChI=1S/C19H27NO4/c1-10-8-9-12-6-4-5-7-13(12)14(10)17(22)15-18(23)16(11(2)21)20(3)19(15)24/h8-14,16,21,23H,4-7H2,1-3H3/t10-,11?,12+,13-,14-,16?/m1/s1
InChIKey: NOYBJWXGAYWITN-ABNNWSSOSA-N
Reference
NPASS: NPC480963
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capnodium sp. | Capnodium | Capnodiaceae | Capnodiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 333.42800000000005
TPSA？: 77.83999999999999
MolLogP？: 2.2175
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | Inhibition | nan | % | 10.1021/np200857y |
| Escherichia coli | Escherichia coli | Inhibition | nan | % | 10.1021/np200857y |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 32.0 | ug.mL-1 | 10.1021/np200857y |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | nan | % | 10.1021/np200857y |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 256.0 | ug.mL-1 | 10.1021/np200857y |
| Streptococcus pneumoniae | Streptococcus pneumoniae | Inhibition | nan | % | 10.1021/np200857y |