| 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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ps
pdf |
| 6708704 |
(3S,6aR,6bS,8aS,11R,12S,12aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,1
0,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
| 6708805 |
2-[(5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| 6997112 |
(3R,4aS,6aR,6bS,8aR,11S,12S,12aR,14aR,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 |
| 6997113 |
(3R,4aS,6aR,6bS,8aR,11S,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 |
| 6997114 |
(3R,4aR,6aR,6bS,8aR,11S,12S,12aR,14aR,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 |
| 6997115 |
(3R,4aR,6aR,6bS,8aR,11S,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 |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
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