| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6704±0.0122329 |
| Normalized OD Score: sc h |
0.9562±0.0219876 |
| Z-Score: |
-2.3694±1.15878 |
| p-Value: |
0.0612798 |
| Z-Factor: |
-3.07173 |
| Fitness Defect: |
2.7923 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042225±0.00072 | | Plate DMSO Control (-): | 0.688175±0.02109 | | Plate Z-Factor: | 0.8974 |
|  png
ps
pdf |
| 3483658 |
methyl 5-oxooctadecanoate |
| 3721234 |
n/a |
| 4078246 |
methyl 4-oxoadamantane-1-carboxylate |
| 4131262 |
methyl
2-(10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
propanoate |
| 4396296 |
methyl
10,13-dimethyl-3,11-dioxo-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbo
xylate |
| 5094585 |
methyl 5-oxohexadecanoate |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 0 | |
|
