| Compound Information | SONAR Target prediction | | Name: | PERSEITOL | | Unique Identifier: | SPE00202130 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 196.071 g/mol | | X log p: | -3.419 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | OCC(O)C(O)C(O)C(O)C(O)CO | | Class: | carbohydrate | | Source: | Persia spp. | | Reference: | J Am Chem Soc 61: 339 (1939); Carbohydr Res 150: 35 (1986) |
| Species: |
4932 |
| Condition: |
NTH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7169±0.00480833 |
| Normalized OD Score: sc h |
0.9896±0.00267141 |
| Z-Score: |
-0.5340±0.0936039 |
| p-Value: |
0.594156 |
| Z-Factor: |
-6.06555 |
| Fitness Defect: |
0.5206 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2008-01-23 YYYY-MM-DD | | Plate CH Control (+): | 0.04245±0.00041 | | Plate DMSO Control (-): | 0.6937249999999999±0.01503 | | Plate Z-Factor: | 0.9354 |
|  png
ps
pdf |
| 3511 |
n/a |
| 73051 |
n/a |
| 73499 |
n/a |
| 91498 |
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| 101748 |
heptane-1,2,3,4,5,6,7-heptol |
| 115361 |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-t
etradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 2846 | Additional Members: 7 | Rows returned: 0 | |
|
