Compound Information | SONAR Target prediction | Name: | CHAULMOOGRIC ACID | Unique Identifier: | SPE00310016 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C18H32O2 | Molecular Weight: | 248.191 g/mol | X log p: | 3.579 (online calculus) | Lipinksi Failures | 1 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 13 | Canonical Smiles: | OC(=O)CCCCCCCCCCCCC1CCC=C1 | Source: | ex oils of Hydnocarpus and Oncola spp | Reference: | J Chromatography 39: 182 (1969) | Generic_name: | OLEIC ACID | Chemical_iupac_name: | OLEIC ACID | Drug_type: | Experimental | Kegg_compound_id: | C00712 | Drugbank_id: | EXPT02430 | Logp: | 6.036 | Cas_registry_number: | 112-80-1 | Drug_category: | Serum Albumin inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
SPE01503602 |
Replicates: |
2 |
Raw OD Value: r im |
0.0680±0.00494975 |
Normalized OD Score: sc h |
0.1945±0.00561313 |
Z-Score: |
-5.1614±0.11616 |
p-Value: |
0.000000268162 |
Z-Factor: |
-0.605627 |
Fitness Defect: |
15.1317 |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|F9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.30 Celcius | Date: | 2006-11-15 YYYY-MM-DD | Plate CH Control (+): | 0.040400000000000005±0.00188 | Plate DMSO Control (-): | 0.36134999999999995±0.25104 | Plate Z-Factor: | -0.5306 |
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220718 |
6-(1-cyclohex-2-enyl)hexanoic acid |
227277 |
1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylic acid |
250154 |
nonadec-10-enoic acid |
288347 |
n/a |
329668 |
13-(1-cyclopent-2-enyl)tridec-6-enoic acid |
329669 |
15-(1-cyclopent-2-enyl)pentadecanoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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