| 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: |
PPH21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7765±0.0160513 |
| Normalized OD Score: sc h |
0.9992±0.0149348 |
| Z-Score: |
-0.0322±0.536441 |
| p-Value: |
0.704596 |
| Z-Factor: |
-122.377 |
| Fitness Defect: |
0.3501 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2006-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0379±0.00268 | | Plate DMSO Control (-): | 0.791625±0.01799 | | Plate Z-Factor: | 0.9210 |
|  png
ps
pdf |
| 182053 |
(3S,4aS,6aR,6bS,8R,8aS,11R,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,
12,12a,14,14a-tetradecahydro-1H-picene-3,8-diol |
| 227829 |
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| 235956 |
4-(2-methyl-5-propan-2-yl-1-cyclopentenyl)butan-2-ol |
| 244185 |
1-(1-cyclopent-2-enyl)-2-methyl-propan-2-ol |
| 275618 |
n/a |
| 287687 |
6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
|
