| Compound Information | SONAR Target prediction | | Name: | beta-CAROTENE | | Unique Identifier: | SPE01500143 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 480.428 g/mol | | X log p: | 30.392 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 0 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)
C | | Class: | lipid | | Source: | provitamin A; widespread in plants and animals | | Therapeutics: | provitamin A | | Generic_name: | ALL-TRANS AXEROPHTHENE | | Chemical_iupac_name: | ALL-TRANS AXEROPHTHENE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00602 | | Logp: | 5.62 | | Drug_category: | Retinol Binding Protein Complexed With Axero inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
VPH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3749±0.00742462 |
| Normalized OD Score: sc h |
0.8749±0.0075056 |
| Z-Score: |
-2.2574±0.00239408 |
| p-Value: |
0.0239814 |
| Z-Factor: |
-0.0175753 |
| Fitness Defect: |
3.7305 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 17|G11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2008-03-01 YYYY-MM-DD | | Plate CH Control (+): | 0.0402±0.00025 | | Plate DMSO Control (-): | 0.401725±0.01415 | | Plate Z-Factor: | 0.8714 |
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| 573 |
3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaene |
| 2093 |
3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)nona-1,3,5,7-tetraene |
| 440662 |
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene |
| 441673 |
3,7,12,16,20,24-hexamethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-do
decaene |
| 446467 |
(1E,3Z,5E,7Z)-3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)nona-1,3,5,7-tetraene |
| 446963 |
(3Z,5E,7Z)-3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)nona-1,3,5,7-tetraene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 820 | Additional Members: 15 | Rows returned: 2 | |
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