| Compound Information | SONAR Target prediction | | Name: | CLOVANEDIOL DIACETATE | | Unique Identifier: | SPE00300133 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 292.201 g/mol | | X log p: | -0.016 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 52.6 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(=O)OC1CCC23CC1(C)CCC2C(C)(C)CC3OC(C)=O | | Class: | sesquiterpene | | Source: | derivative Dipterocarpus pilosus, Salvia canariensis, Viguiera oaxacana, Sindora
sumatrana | | Reference: | Chem Pharm Bull 42: 138 (1994) |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5034±0.00615183 |
| Normalized OD Score: sc h |
0.9021±0.0101364 |
| Z-Score: |
-4.2427±0.234441 |
| p-Value: |
0.000028021 |
| Z-Factor: |
-0.0962122 |
| Fitness Defect: |
10.4826 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.20 Celcius | | Date: | 2007-09-27 YYYY-MM-DD | | Plate CH Control (+): | 0.039625±0.00074 | | Plate DMSO Control (-): | 0.549075±0.01397 | | Plate Z-Factor: | 0.9339 |
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ps
pdf |
| 3471759 |
(11,16-diacetyloxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthre
n-3-yl) acetate |
| 4108970 |
(7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3
-yl) acetate |
| 4457488 |
n/a |
| 5166513 |
[7,12-diacetyloxy-17-(5-acetyloxy-5-methyl-hexan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-
tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6420608 |
[8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-decalin-1-yl] acetate |
| 6420612 |
2-(8-hydroxy-1,2,5,5-tetramethyl-decalin-1-yl)ethyl acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 0 | |
|
