| 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: |
QCR8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6766±0.0106066 |
| Normalized OD Score: sc h |
0.9956±0.00370523 |
| Z-Score: |
-0.1825±0.152781 |
| p-Value: |
0.856046 |
| Z-Factor: |
-51.1878 |
| Fitness Defect: |
0.1554 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.90 Celcius | | Date: | 2008-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039624999999999994±0.00041 | | Plate DMSO Control (-): | 0.6585±0.01817 | | Plate Z-Factor: | 0.9095 |
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ps
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| 5282979 |
5-oxoheptanoic acid |
| 5282980 |
5-oxononanoic acid |
| 5282999 |
5-oxohexadecanoic acid |
| 5283958 |
(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 5283961 |
(4R)-4-[(5S,8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17
-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 5283962 |
(4R)-4-[(5R,8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17
-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic 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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