| Compound Information | SONAR Target prediction | | Name: | NARINGENIN | | Unique Identifier: | SPE01500746 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 260.158 g/mol | | X log p: | 12.698 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 | | Class: | flavan | | Source: | widely distributed in plants | | Therapeutics: | antiulcer, gibberellin antagonist | | Generic_name: | NARINGENIN | | Chemical_iupac_name: | NARINGENIN | | Drug_type: | Experimental | | Kegg_compound_id: | C00509 | | Drugbank_id: | EXPT02295 | | Logp: | 2.211 | | Cas_registry_number: | 480-41-1 | | Drug_category: | Chalcone-Flavonone Isomerase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7380±0.00424264 |
| Normalized OD Score: sc h |
0.9955±0.00107484 |
| Z-Score: |
0.7556±0.0344277 |
| p-Value: |
0.450004 |
| Z-Factor: |
-6.99409 |
| Fitness Defect: |
0.7985 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 18|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09900000000000002±0.01066 | | Plate DMSO Control (-): | 0.9122500000000001±0.02653 | | Plate Z-Factor: | 0.8552 |
|  png
ps
pdf |
| DBLink | Rows returned: 3 | |
| 932 |
5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one |
| 439246 |
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one |
| 667495 |
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one |
| internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
| active | Cluster 14672 | Additional Members: 12 | Rows returned: 1 | |
|
