| 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: |
KAP123 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5046±0.00254558 |
| Normalized OD Score: sc h |
0.8979±0.00833633 |
| Z-Score: |
-4.1108±0.646417 |
| p-Value: |
0.000131684 |
| Z-Factor: |
-0.285631 |
| Fitness Defect: |
8.9351 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.50 Celcius | | Date: | 2007-11-09 YYYY-MM-DD | | Plate CH Control (+): | 0.040575±0.00074 | | Plate DMSO Control (-): | 0.5507±0.01865 | | Plate Z-Factor: | 0.8867 |
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ps
pdf |
| 574350 |
methyl
7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxo-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carbo
xylate |
| 574551 |
methyl 5-oxotridecanoate |
| 588910 |
methyl 3-(2-oxocyclododecyl)propanoate |
| 602729 |
methyl 2-[3-(methoxycarbonylmethyl)-5-oxo-cyclohexyl]acetate |
| 623289 |
n/a |
| 625316 |
methyl
4-(12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant
hren-17-yl)pentanoate |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 0 | |
|
