| Compound Information | SONAR Target prediction | | Name: | Beta-Carotene | | Unique Identifier: | LAT006C08 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C40H56 | | 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 | | 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: |
pdr24h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7038±0.00636396 |
| Normalized OD Score: sc h |
1.0209±0.00478697 |
| Z-Score: |
0.9939±0.201803 |
| p-Value: |
0.325204 |
| Z-Factor: |
-5.13101 |
| Fitness Defect: |
1.1233 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | LATCA | | Plate Number and Position: | 6|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2007-03-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040925±0.00232 | | Plate DMSO Control (-): | 0.659375±0.01975 | | Plate Z-Factor: | 0.9091 |
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ps
pdf |
| 10314693 |
7,8-bis(7-bicyclo[2.2.2]oct-8-enyl)bicyclo[2.2.2]oct-8-ene |
| 10626413 |
(1E,3E,5E,7E,9E,11E,13E,15E,17E)-2,17-dideuterio-1,18-bis(3,3-dideuterio-2,6,6-trimethyl-1-cyclohexenyl)
-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaene |
| 10626987 |
(1E,3E,5E,7E,9E,11E,13E,15E,17E)-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 |
| 10690965 |
n/a |
| 10697725 |
(1E,3E,5E,7E,9E,11E,13E,15E,17E)-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 |
| 10697878 |
(1E,3E,5E,7E,9E,11E,13E,15E,17E)-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 |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 820 | Additional Members: 15 | Rows returned: 3 | |
|
