| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6179±0.00975807 |
| Normalized OD Score: sc h |
0.9510±0.00381287 |
| Z-Score: |
-2.5757±0.0996085 |
| p-Value: |
0.0101901 |
| Z-Factor: |
-0.382282 |
| Fitness Defect: |
4.5863 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2006-03-25 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00156 | | Plate DMSO Control (-): | 0.6349±0.01097 | | Plate Z-Factor: | 0.9401 |
|  png
ps
pdf |
| 5315016 |
methyl (1R)-1,3-dimethyl-2-(2-oxoethyl)-3-(2-oxo-4-propan-2-yl-cyclohexyl)cyclohexane-1-carboxylate |
| 6428311 |
methyl (1R,2R,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate |
| 6429098 |
methyl 2,6-dimethyl-5-oxo-heptanoate |
| 6570480 |
n/a |
| 6597708 |
methyl (3S,5S)-4-oxoadamantane-1-carboxylate |
| 6924092 |
methyl 3-[(1S,3R)-3-(2-methoxycarbonylethyl)-2-oxo-cyclopentyl]propanoate |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 0 | |
|
