| 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: |
WHI5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7181±0.0000707107 |
| Normalized OD Score: sc h |
0.9964±0.000349701 |
| Z-Score: |
0.0121±0.0598446 |
| p-Value: |
0.966248 |
| Z-Factor: |
-93.2508 |
| Fitness Defect: |
0.0343 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2008-09-16 YYYY-MM-DD | | Plate CH Control (+): | 0.04215±0.00076 | | Plate DMSO Control (-): | 0.706325±0.01544 | | Plate Z-Factor: | 0.9245 |
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ps
pdf |
| 614591 |
17-(7-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthrene-3,4,6,8,15,16-hexol |
| 617512 |
17-(7-hydroxy-5,6-dimethyl-heptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydroc
yclopenta[a]phenanthrene-3,6,8,15,16-pentol |
| 627681 |
17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-3,8,
12,14,17-pentol |
| 634760 |
17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclope
nta[a]phenanthrene-3,5,6-triol |
| 636682 |
n/a |
| 2752860 |
(3S,5R,6R,8S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17
-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 2846 | Additional Members: 7 | Rows returned: 0 | |
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