| Compound Information | SONAR Target prediction | | Name: | DIHYDROJASMONIC ACID, METHYL ESTER | | Unique Identifier: | SPE01504910 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 204.137 g/mol | | X log p: | -0.243 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | CCCCCC1C(CCC1=O)CC(=O)OC | | Class: | alkane | | Source: | Jasminium spp and Vicia faba | | Reference: | Helv Chim Acta 57: 1301 (1974); Tet Lett 3413 (1974); JACS 97: 6144 (1975); PNAS 98:
4788 (2001) | | Therapeutics: | plant growth regulator |
| Species: |
4932 |
| Condition: |
ARX1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6540±0.00353553 |
| Normalized OD Score: sc h |
0.9601±0.0102058 |
| Z-Score: |
-1.9488±0.336533 |
| p-Value: |
0.0579314 |
| Z-Factor: |
-2.69647 |
| Fitness Defect: |
2.8485 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2007-10-11 YYYY-MM-DD | | Plate CH Control (+): | 0.039425±0.00139 | | Plate DMSO Control (-): | 0.6755249999999999±0.02177 | | Plate Z-Factor: | 0.8906 |
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ps
pdf |
| 170615 |
methyl 2-(3-oxo-2-propyl-cyclopentyl)acetate |
| 226643 |
methyl 4-oxocyclohexane-1-carboxylate |
| 226672 |
methyl 3-[1,3,3-tris(2-methoxycarbonylethyl)-2-oxo-cyclohexyl]propanoate |
| 250425 |
n/a |
| 289583 |
methyl 3-[3-(2-methoxycarbonylethyl)-2-oxo-cyclohexyl]propanoate |
| 348027 |
methyl
2-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)acetat
e |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 0 | |
|
