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: |
VBA3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6797±0.0137886 |
Normalized OD Score: sc h |
0.9982±0.00251211 |
Z-Score: |
-0.0937±0.131213 |
p-Value: |
0.92566 |
Z-Factor: |
-35.4242 |
Fitness Defect: |
0.0772 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.40 Celcius | Date: | 2008-03-12 YYYY-MM-DD | Plate CH Control (+): | 0.0412±0.00079 | Plate DMSO Control (-): | 0.6452249999999999±0.04946 | Plate Z-Factor: | 0.7290 |
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72607 |
2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
85666 |
2-methyl-3-(4-propan-2-yl-1-cyclohexenyl)propan-1-ol |
92802 |
(3S,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 |
94137 |
n/a |
101679 |
(3R)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol |
101761 |
(3S,4aS,6aR,6bS,8aS,12aR,14aS,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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