| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8040±0.000919239 |
| Normalized OD Score: sc h |
1.0300±0.00491255 |
| Z-Score: |
1.2587±0.225208 |
| p-Value: |
0.2139 |
| Z-Factor: |
-3.25712 |
| Fitness Defect: |
1.5422 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 19|H3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09925±0.00939 | | Plate DMSO Control (-): | 0.9052499999999999±0.03145 | | Plate Z-Factor: | 0.8237 |
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ps
pdf |
| 620492 |
10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-o
l |
| 625091 |
1-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol |
| 3266408 |
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-1
H-picen-3-ol |
| 3532694 |
17-(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 |
| 5270607 |
(3S,6aR,6bS,8S,8aS,11R,12S,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 |
| 5315134 |
(3R,6aR,8S,8aS,12S,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradec
ahydro-1H-picene-3,8-diol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 4 | |
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