| Compound Information | SONAR Target prediction | | Name: | DIHYDROJASMONIC ACID | | Unique Identifier: | SPE01504104 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 192.127 g/mol | | X log p: | -1.077 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CCCCCC1C(CCC1=O)CC(O)=O | | 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: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7172±0.00141421 |
| Normalized OD Score: sc h |
0.9843±0.00125009 |
| Z-Score: |
-0.8353±0.0850217 |
| p-Value: |
0.404408 |
| Z-Factor: |
-2.4149 |
| Fitness Defect: |
0.9053 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040475±0.00119 | | Plate DMSO Control (-): | 0.70815±0.01282 | | Plate Z-Factor: | 0.9284 |
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| 7053995 |
(1R,3R)-3-acetyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid |
| 7053996 |
(1R,3S)-3-acetyl-2,2,3-trimethyl-cyclopentane-1-carboxylate |
| 7053997 |
(1R,3S)-3-acetyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid |
| 7054561 |
3-[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-norbornan-2-yl]propanoate |
| 7054562 |
3-[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-norbornan-2-yl]propanoic acid |
| 7054563 |
3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxo-norbornan-2-yl]propanoate |
| internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 1 | |
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