| Compound Information | SONAR Target prediction | | Name: | ISOEUGENITOL | | Unique Identifier: | SPE00200449 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 196.115 g/mol | | X log p: | 4.311 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1Oc2c(C)c(O)cc(O)c2C(=O)C=1 | | Class: | chromone | | Source: | Eugenia caryophyllata | | Reference: | Helv Chim Acta 31: 1603 (1948) |
| Species: |
4932 |
| Condition: |
SNC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6758±0.00240416 |
| Normalized OD Score: sc h |
0.9542±0.000565582 |
| Z-Score: |
-2.6077±0.0981252 |
| p-Value: |
0.0092829 |
| Z-Factor: |
0.0542286 |
| Fitness Defect: |
4.6796 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2008-04-24 YYYY-MM-DD | | Plate CH Control (+): | 0.0409±0.00076 | | Plate DMSO Control (-): | 0.70295±0.00939 | | Plate Z-Factor: | 0.9490 |
|  png
ps
pdf |
| DBLink | Rows returned: 1 | |
| 5318562 |
5,7-dihydroxy-2,8-dimethyl-chromen-4-one |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 823 | Additional Members: 1 | Rows returned: 0 | |
|
