| 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: |
SPE00201610 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.0993±0 |
| Normalized OD Score: sc h |
0.3704±0 |
| Z-Score: |
-5.6077±0 |
| p-Value: |
0.0000000204974 |
| Z-Factor: |
0.522602 |
| Fitness Defect: |
17.703 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-08-13 YYYY-MM-DD | | Plate CH Control (+): | 0.03965±0.00079 | | Plate DMSO Control (-): | 0.2681±0.02711 | | Plate Z-Factor: | 0.6357 |
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ps
pdf |
| 2754281 |
(4S)-4-[(5S,10R,13R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthre
n-17-yl]pentanoic acid |
| 3383008 |
2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylic acid |
| 3470682 |
bicyclo[6.1.0]non-4-ene-9-carboxylic acid |
| 3625954 |
4-(10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic
acid |
| 3972785 |
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pe
ntanoic acid |
| 3981544 |
4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic
acid |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
|
