| Compound Information | SONAR Target prediction | | Name: | UVAOL | | Unique Identifier: | SPE01504073 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 392.32 g/mol | | X log p: | 2.292 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC1CCC2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C | | Class: | triterpene | | Source: | Arctostaphylos spp, Leucothoe keiskei, Crataegus cuneata, Osmanthus fragrans, Ilex
latifolia | | Reference: | Bull Chem Soc Jpn 39:2313 (1966); J Pharm Sci 55:1378 (1966); Phytochemistry 6:1395
(1967) | | Therapeutics: | antineoplastic |
| Species: |
4932 |
| Condition: |
MMS22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5214±0.00933381 |
| Normalized OD Score: sc h |
0.9866±0.00605742 |
| Z-Score: |
-0.4097±0.148171 |
| p-Value: |
0.68366 |
| Z-Factor: |
-6.01621 |
| Fitness Defect: |
0.3803 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2008-06-13 YYYY-MM-DD | | Plate CH Control (+): | 0.04115±0.00083 | | Plate DMSO Control (-): | 0.53025±0.01272 | | Plate Z-Factor: | 0.9177 |
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ps
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| 293273 |
(3R,4aS,6aR,6bS,8aS,11R,12S,12aR,14aS,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,
6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
| 296908 |
2-methylbicyclo[3.2.0]hept-3-en-7-ol |
| 317033 |
2-(4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-ol |
| 397934 |
(3S,4aS,6aR,6bS,8S,8aS,12aR,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14
,14a-tetradecahydropicene-3,8-diol |
| 442347 |
(3R,3aS,8aR)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol |
| 470261 |
(3S,6aR,6bS,8aS,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14
,14a-tetradecahydropicen-3-ol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
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