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: |
HHF1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6885±0.0146371 |
Normalized OD Score: sc h |
1.1012±0.0221665 |
Z-Score: |
4.3830±0.773237 |
p-Value: |
0.0000628804 |
Z-Factor: |
-2.22473 |
Fitness Defect: |
9.6743 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 17|G11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.30 Celcius | Date: | 2008-04-15 YYYY-MM-DD | Plate CH Control (+): | 0.040925±0.00233 | Plate DMSO Control (-): | 0.6219250000000001±0.05513 | Plate Z-Factor: | 0.7218 |
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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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