| Compound Information | SONAR Target prediction | | Name: | HYDROCOTOIN | | Unique Identifier: | SPE00201081 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H14O4 | | Molecular Weight: | 244.158 g/mol | | X log p: | 15.451 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | COc1cc(O)c(C(=O)c2ccccc2)c(OC)c1 | | Source: | ex Nectandra coto |
| Species: |
4932 |
| Condition: |
SPE00210203 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5755±0.0122329 |
| Normalized OD Score: sc h |
0.9997±0.0162488 |
| Z-Score: |
-0.0315±0.568634 |
| p-Value: |
0.687768 |
| Z-Factor: |
-10.1087 |
| Fitness Defect: |
0.3743 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.80 Celcius | | Date: | 2006-12-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00221 | | Plate DMSO Control (-): | 0.5848500000000001±0.16932 | | Plate Z-Factor: | -0.0408 |
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| DBLink | Rows returned: 6 | |
| 77387 |
phenyl-(2,4,6-trimethoxyphenyl)methanone |
| 254174 |
(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone |
| 520748 |
(2,4-dimethoxyphenyl)-phenyl-methanone |
| 688628 |
(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone |
| 3646534 |
(2-hydroxy-4,6-dimethoxy-phenyl)-phenyl-methanone |
| 6710752 |
(4-hydroxyphenyl)-(2,4,6-trimethoxyphenyl)methanone |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 9714 | Additional Members: 6 | Rows returned: 4 | |
|
