Epiisopiloturine
AlkaPlorer ID: AK162954
Synonym: None
IUPAC Name: (3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one
Structure
SMILES: CN1C=NC(C[C@H]2COC(=O)[C@@H]2[C@H](O)C2=CC=CC=C2)=C1
InChI: InChI=1S/C16H18N2O3/c1-18-8-13(17-10-18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14-,15+/m0/s1
InChIKey: OLLOSKHCXIYWIO-AEGPPILISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pilocarpus microphyllus | Pilocarpus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 286.331
TPSA？: 64.35000000000001
MolLogP？: 1.4853999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | 3.8 | U | 10.1021/np400099m |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 36.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 46.66 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 46.8 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 48.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 49.7 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 54.08 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 55.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 55.2 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 58.18 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 65.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 66.4 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 67.6 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 70.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 71.3 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 73.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 73.8 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 76.92 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 79.5 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 85.0 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | 89.21 | % | 10.1021/np400099m |
| Mus musculus | Mus musculus | Inhibition | nan | % | 10.1021/np400099m |