| 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: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7074±0.00120208 |
| Normalized OD Score: sc h |
0.9962±0.00841794 |
| Z-Score: |
-0.2144±0.492457 |
| p-Value: |
0.73362 |
| Z-Factor: |
-12.8309 |
| Fitness Defect: |
0.3098 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.40 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.0408±0.00084 | | Plate DMSO Control (-): | 0.69635±0.01442 | | Plate Z-Factor: | 0.9162 |
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ps
pdf |
| 122858 |
(3S,4aS,6aR,6bS,8S,8aS,12aR,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 |
| 124061 |
(3S,6aR,6bS,8aR,9R,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradeca
hydropicene-3,9-diol |
| 144075 |
bicyclo[4.2.1]non-3-en-9-ol |
| 144383 |
n/a |
| 144384 |
n/a |
| 174183 |
n/a |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
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