| 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: |
SPE01500431 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.1089±0 |
| Normalized OD Score: sc h |
0.3917±0 |
| Z-Score: |
-11.7349±0 |
| p-Value: |
8.43788e-32 |
| Z-Factor: |
0.808798 |
| Fitness Defect: |
71.55 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-08-17 YYYY-MM-DD | | Plate CH Control (+): | 0.0383±0.00130 | | Plate DMSO Control (-): | 0.27805±0.01078 | | Plate Z-Factor: | 0.8490 |
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ps
pdf |
| 346770 |
n/a |
| 441446 |
13-[(1S)-1-cyclopent-2-enyl]tridecanoic acid |
| 445586 |
(8E,14E)-icosa-8,14-dienoic acid |
| 445589 |
9-[(1R,6S)-1,3-dimethyl-2-bicyclo[4.1.0]hept-2-enyl]-3,7-dimethyl-nonanoic acid |
| 445638 |
(E)-hexadec-9-enoic acid |
| 445639 |
(E)-octadec-9-enoic acid |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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