| 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: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5049±0.0197283 |
| Normalized OD Score: sc h |
1.0021±0.0145674 |
| Z-Score: |
0.0572±0.44558 |
| p-Value: |
0.753096 |
| Z-Factor: |
-37.8684 |
| Fitness Defect: |
0.2836 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.040275±0.00068 | | Plate DMSO Control (-): | 0.473775±0.01862 | | Plate Z-Factor: | 0.8809 |
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ps
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| 578224 |
1-ethyl-5,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol |
| 579336 |
4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-ol |
| 579719 |
3-(2,6,6-trimethyl-1-cyclohexenyl)propan-1-ol |
| 589260 |
n/a |
| 608886 |
8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropic
en-3-ol |
| 620381 |
17-(5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phena
nthren-12-ol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
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