| 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: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6985±0.0290621 |
| Normalized OD Score: sc h |
0.8652±0.0304768 |
| Z-Score: |
-4.8445±0.922756 |
| p-Value: |
0.0000138451 |
| Z-Factor: |
-0.150131 |
| Fitness Defect: |
11.1876 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.0379±0.00152 | | Plate DMSO Control (-): | 0.7935249999999999±0.01503 | | Plate Z-Factor: | 0.9151 |
|  png
ps
pdf |
| 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 | |
|
