| 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: |
NTH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7032±0.00346482 |
| Normalized OD Score: sc h |
1.0007±0.00145336 |
| Z-Score: |
0.0301±0.0691699 |
| p-Value: |
0.961008 |
| Z-Factor: |
-16.5686 |
| Fitness Defect: |
0.0398 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2008-01-23 YYYY-MM-DD | | Plate CH Control (+): | 0.042025±0.00089 | | Plate DMSO Control (-): | 0.672425±0.01785 | | Plate Z-Factor: | 0.9041 |
|  png
ps
pdf |
| 6432448 |
(3S,3aR,8aS)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol |
| 6438069 |
2-[(E)-hex-2-enyl]cyclopentan-1-ol |
| 6455801 |
(3S,5R,8S,9S,10R,13R,17R)-14-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,8,9,
11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 6563892 |
(3S,4aR,6aR,6bR,8aR,11S,12R,12aR,14aS,14bR)-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 |
| 6566065 |
(3S,4aR,6aR,6bR,8aR,12aR,14aS,14bR)-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 |
| 6572437 |
(3S,5S,8R,9S,10S,13S,14R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,8,9,11,12
,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
|
