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: |
CLN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7085±0.0217789 |
Normalized OD Score: sc h |
0.9546±0.0257611 |
Z-Score: |
-2.7332±1.2924 |
p-Value: |
0.0345644 |
Z-Factor: |
-1.46088 |
Fitness Defect: |
3.3649 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 22|A8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.08775±0.00535 | Plate DMSO Control (-): | 0.90875±0.06816 | Plate Z-Factor: | 0.7120 |
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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 | |
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