| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7990±0.000777817 |
| Normalized OD Score: sc h |
0.9885±0.00281551 |
| Z-Score: |
-0.6939±0.172825 |
| p-Value: |
0.490994 |
| Z-Factor: |
-11.7495 |
| Fitness Defect: |
0.7113 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 22|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09599999999999999±0.00632 | | Plate DMSO Control (-): | 0.94±0.04220 | | Plate Z-Factor: | 0.7701 |
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ps
pdf |
| 625598 |
n/a |
| 631449 |
4,4,13-trimethyl-3,17-dioxo-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carboxy
lic acid |
| 644120 |
2-[(1R,2R)-3-oxo-2-pentyl-cyclopentyl]acetic acid |
| 759389 |
3-[(1R)-2-oxocyclohexyl]propanoic acid |
| 759391 |
3-[(1S)-2-oxocyclohexyl]propanoic acid |
| 768775 |
(3S,5R)-4-oxoadamantane-1-carboxylic acid |
| internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
| active | Cluster 11884 | Additional Members: 2 | Rows returned: 1 | |
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