| 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: |
VPS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2057±0.0342947 |
| Normalized OD Score: sc h |
0.3369±0.051471 |
| Z-Score: |
-26.3053±2.89199 |
| p-Value: |
0 |
| Z-Factor: |
-0.335882 |
| Fitness Defect: |
INF |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-10-03 YYYY-MM-DD | | Plate CH Control (+): | 0.04015±0.00058 | | Plate DMSO Control (-): | 0.598125±0.12844 | | Plate Z-Factor: | 0.2317 |
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pdf |
| 5284022 |
(4R)-4-[(5S,9R,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthren-17-yl]pentanoic acid |
| 5284049 |
(4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]
phenanthren-17-yl]pentanoic acid |
| 5284122 |
(4R)-4-[(5R,9R,10R,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]ph
enanthren-17-yl]pentanoic acid |
| 5284434 |
sodium (E)-octadec-9-enoate |
| 5312300 |
(E)-7-methylhexadec-6-enoic acid |
| 5312301 |
(E)-14-methylhexadec-8-enoic acid |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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