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: |
SPE00307050 |
Replicates: |
2 |
Raw OD Value: r im |
0.1384±0 |
Normalized OD Score: sc h |
0.3929±0 |
Z-Score: |
-13.3885±0 |
p-Value: |
7.0589e-41 |
Z-Factor: |
0.8746 |
Fitness Defect: |
92.4517 |
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 (+): | 0.04065±0.00251 | Plate DMSO Control (-): | 0.35225±0.00896 | Plate Z-Factor: | 0.8897 |
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7056807 |
(4S)-4-[(5S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoate |
7056808 |
(4S)-4-[(5S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoic acid |
7056809 |
(4S)-4-[(5S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoate |
7056810 |
(4S)-4-[(5S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoic acid |
7056811 |
(4S)-4-[(5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoate |
7056812 |
(4S)-4-[(5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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