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: |
BY4741-2nd |
Replicates: |
2 |
Raw OD Value: r im |
0.7184±0.0457498 |
Normalized OD Score: sc h |
0.8870±0.0352466 |
Z-Score: |
-4.4494±1.23673 |
p-Value: |
0.000175245 |
Z-Factor: |
-0.429078 |
Fitness Defect: |
8.6493 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|E2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.90 Celcius | Date: | 2006-04-05 YYYY-MM-DD | Plate CH Control (+): | 0.038275±0.00138 | Plate DMSO Control (-): | 0.7973250000000001±0.01384 | Plate Z-Factor: | 0.9423 |
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5312773 |
(E)-18-hydroxyoctadec-9-enoic acid |
5312782 |
(E)-24-hydroxytetracos-10-enoic acid |
5312825 |
(E)-16-hydroxyhexadec-6-enoic acid |
5315024 |
(1R)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylic acid |
5318393 |
(E)-hexadec-7-enoic acid |
5362743 |
(E)-tetradec-11-enoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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