| Compound Information | SONAR Target prediction | | Name: | CHOLESTAN-3beta,5alpha,6beta-TRIOL | | Unique Identifier: | SPE00270090 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 372.287 g/mol | | X log p: | -0.645 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3C(O)CC4(O)CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Pteroeides esperi | | Reference: | Indian J Chem Soc B 14: 802 (1976) |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2570±0.00141421 |
| Normalized OD Score: sc h |
0.5022±0.00746613 |
| Z-Score: |
-13.9175±0.190918 |
| p-Value: |
1.65353e-43 |
| Z-Factor: |
0.764239 |
| Fitness Defect: |
98.5082 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|E7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-06-05 YYYY-MM-DD | | Plate CH Control (+): | 0.0407±0.00049 | | Plate DMSO Control (-): | 0.512175±0.01640 | | Plate Z-Factor: | 0.8807 |
|  png
ps
pdf |
| 5259622 |
n/a |
| 5283625 |
(3R,5S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-5,10,13-trimethyl-1,2,
3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,7-diol |
| 5283702 |
(1R,3S)-5-[2-[(1R,3aS,7aS)-7a-(hydroxymethyl)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-1,2,3,3a,4,5,6,7-o
ctahydroinden-4-yl]ethyl]-4-methyl-cyclohexane-1,3-diol |
| 5284188 |
(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3
,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| 5284195 |
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5
,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| 5284196 |
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5
,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
|
