| 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: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7780±0.0046669 |
| Normalized OD Score: sc h |
0.9766±0.00372419 |
| Z-Score: |
-1.3194±0.23211 |
| p-Value: |
0.192949 |
| Z-Factor: |
-1.17128 |
| Fitness Defect: |
1.6453 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2006-02-14 YYYY-MM-DD | | Plate CH Control (+): | 0.039275000000000004±0.00154 | | Plate DMSO Control (-): | 0.781±0.01037 | | Plate Z-Factor: | 0.9479 |
|  png
ps
pdf |
| 1636761 |
methyl 2-[(1R,2S)-2-hexyl-3-oxo-cyclopentyl]acetate |
| 1636762 |
methyl 2-[(1R,2R)-2-hexyl-3-oxo-cyclopentyl]acetate |
| 1636763 |
methyl 2-[(1S,2S)-2-hexyl-3-oxo-cyclopentyl]acetate |
| 1636764 |
methyl 2-[(1S,2R)-2-hexyl-3-oxo-cyclopentyl]acetate |
| 1738122 |
methyl 2-[(1R,2S)-3-oxo-2-pentyl-cyclopentyl]acetate |
| 1738124 |
methyl 2-[(1R,2R)-3-oxo-2-pentyl-cyclopentyl]acetate |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 0 | |
|
