| 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: |
GPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7760±0.0120208 |
| Normalized OD Score: sc h |
1.0091±0.00570711 |
| Z-Score: |
0.2522±0.145827 |
| p-Value: |
0.801906 |
| Z-Factor: |
-3.95586 |
| Fitness Defect: |
0.2208 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|G6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2006-03-02 YYYY-MM-DD | | Plate CH Control (+): | 0.038825±0.00091 | | Plate DMSO Control (-): | 0.7597749999999999±0.00823 | | Plate Z-Factor: | 0.9636 |
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3-[(1R,3S)-3-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid |
| 7409538 |
3-[1-(2-carboxylatoethyl)-2-oxo-cyclohexyl]propanoate |
| 9207794 |
(5R,7S)-3-acetyladamantane-1-carboxylate |
| 9207795 |
(5R,7S)-3-acetyladamantane-1-carboxylic acid |
| 15944652 |
3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoate |
| 16061083 |
2-[(1S,2R)-3-oxo-2-pentyl-cyclopentyl]acetic 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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