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: |
IRE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7810±0.00841457 |
Normalized OD Score: sc h |
0.9661±0.0174355 |
Z-Score: |
-2.2931±0.866513 |
p-Value: |
0.048271 |
Z-Factor: |
-3.25531 |
Fitness Defect: |
3.0309 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 22|A8 | 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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574350 |
methyl 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxo-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carbo xylate |
574551 |
methyl 5-oxotridecanoate |
588910 |
methyl 3-(2-oxocyclododecyl)propanoate |
602729 |
methyl 2-[3-(methoxycarbonylmethyl)-5-oxo-cyclohexyl]acetate |
623289 |
n/a |
625316 |
methyl 4-(12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hren-17-yl)pentanoate |
internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
active | Cluster 11884 | Additional Members: 2 | Rows returned: 0 | |
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