| 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: |
SUR2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7124±0.00827315 |
| Normalized OD Score: sc h |
1.0134±0.00537894 |
| Z-Score: |
0.6761±0.282883 |
| p-Value: |
0.50749 |
| Z-Factor: |
-3.89891 |
| Fitness Defect: |
0.6783 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2008-05-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040499999999999994±0.00094 | | Plate DMSO Control (-): | 0.710725±0.01679 | | Plate Z-Factor: | 0.9184 |
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ps
pdf |
| 89263 |
[4-(2-acetyloxypropan-2-yl)-1-methyl-cyclohexyl] acetate |
| 288371 |
(4b-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6,7,8,8a,9,10,10a-decahydro-2H-phenanthren-1-yl)methyl
acetate |
| 530262 |
[3,5-bis(acetyloxymethyl)cyclohexyl]methyl acetate |
| 536437 |
[2-(3-hydroxypropyl)cyclohexyl] acetate |
| 537176 |
(5-acetyloxycyclododecyl) acetate |
| 538053 |
(5-acetyloxycyclooctyl) acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 0 | |
|
