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: |
SPO22 |
Replicates: |
2 |
Raw OD Value: r im |
0.2046±0.00685894 |
Normalized OD Score: sc h |
0.6036±0.00728368 |
Z-Score: |
-4.8614±0.15683 |
p-Value: |
0.00000134533 |
Z-Factor: |
0.335323 |
Fitness Defect: |
13.5189 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|E2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2006-05-12 YYYY-MM-DD | Plate CH Control (+): | 0.038474999999999995±0.00053 | Plate DMSO Control (-): | 0.3236±0.02678 | Plate Z-Factor: | 0.7405 |
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11450055 |
5-[(4aS,8aS)-2,4a,5,5,8a-pentamethyl-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]-3-methyl-pentanoic acid |
11675592 |
(Z,3R)-3-methylpentacos-16-enoic acid |
11999990 |
(Z)-icos-10-enedioic acid |
15965530 |
(E)-docos-11-enedioic acid |
16039116 |
(Z,14S)-14-methylhexadec-11-enoic acid |
16067788 |
(Z)-2-decyloctadec-9-enoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
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