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: |
SPE01500431 |
Replicates: |
2 |
Raw OD Value: r im |
0.1089±0 |
Normalized OD Score: sc h |
0.3917±0 |
Z-Score: |
-11.7349±0 |
p-Value: |
8.43788e-32 |
Z-Factor: |
0.808798 |
Fitness Defect: |
71.55 |
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 (+): | 0.0383±0.00130 | Plate DMSO Control (-): | 0.27805±0.01078 | Plate Z-Factor: | 0.8490 |
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446285 |
(E)-octadec-12-enoic acid |
565016 |
3-(1-cyclohex-3-enyl)propanoic acid |
602730 |
5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methyl-pentanoic acid |
637517 |
(E)-octadec-9-enoic acid |
656735 |
17-methyloctadec-6-enoic acid |
1514120 |
(3aS,7aR)-2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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