| Compound Information | SONAR Target prediction | | Name: | beta-AMYRIN | | Unique Identifier: | SPE00100360 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 376.32 g/mol | | X log p: | 2.864 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | | Class: | triterpene | | Source: | widespread in plants | | Reference: | Phytochemistry 9: 1669 (1970) | | Generic_name: | 16,17-ANDROSTENE-3-OL | | Chemical_iupac_name: | 16,17-ANDROSTENE-3-OL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00580 | | Logp: | 4.38 | | Drug_category: | Constitutive Androstane Receptor inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
ELF1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6808±0.00509117 |
| Normalized OD Score: sc h |
0.9867±0.0187811 |
| Z-Score: |
-0.5492±0.773029 |
| p-Value: |
0.635562 |
| Z-Factor: |
-15.1266 |
| Fitness Defect: |
0.4532 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.20 Celcius | | Date: | 2008-07-11 YYYY-MM-DD | | Plate CH Control (+): | 0.041575±0.00075 | | Plate DMSO Control (-): | 0.691775±0.01586 | | Plate Z-Factor: | 0.9008 |
|  png
ps
pdf |
| 276594 |
3,5,10,13-tetramethyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol |
| 281317 |
3-(6-bicyclo[2.2.1]hept-2-enyl)propan-1-ol |
| 293011 |
tetracos-15-en-1-ol |
| 312796 |
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phe
nanthren-3-ol |
| 314393 |
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclo
penta[a]phenanthren-3-ol |
| 319259 |
17-ethyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
|
