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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160156 |
(4R)-4-[(5R,8S,9S,10R,13R,14S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a] phenanthren-17-yl]pentanoic acid |
164601 |
11-[(1R)-1-cyclopent-2-enyl]undecanoic acid |
177655 |
octadec-15-enoic acid |
195858 |
9-(6-propyl-1-cyclohex-3-enyl)nonanoic acid |
220039 |
6-(1-cyclohexenyl)hexanoic acid |
220339 |
7-ethyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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