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: |
BY4741 |
Replicates: |
2 |
Raw OD Value: r im |
0.6955±0.0593263 |
Normalized OD Score: sc h |
0.8681±0.0661899 |
Z-Score: |
-5.2917±2.35902 |
p-Value: |
0.000145234 |
Z-Factor: |
-1.19373 |
Fitness Defect: |
8.8372 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|E2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.10 Celcius | Date: | 2005-12-15 YYYY-MM-DD | Plate CH Control (+): | 0.03855±0.00146 | Plate DMSO Control (-): | 0.7863499999999999±0.02070 | Plate Z-Factor: | 0.9260 |
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5282853 |
7-(1-cyclopent-2-enyl)heptanoic acid |
5282854 |
9-(1-cyclopent-2-enyl)nonanoic acid |
5282855 |
(E)-13-(1-cyclopent-2-enyl)tridec-6-enoic acid |
5282940 |
(E)-16-hydroxyhexadec-7-enoic acid |
5283918 |
(4R)-4-[(5S,8S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a] phenanthren-17-yl]pentanoic acid |
5283919 |
(4R)-4-[(5S,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[ 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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