Compound Information | SONAR Target prediction | Name: | beta-AMYRIN ACETATE | Unique Identifier: | SPE00100552 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 416.341 g/mol | X log p: | 3.337 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C | Class: | triterpene | Source: | latof various species of rubber tree | Reference: | J Chem Soc 1952:2916; Phytocehmistry 9: 1669 (1970) |
Species: |
4932 |
Condition: |
CLB2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7096±0.00190919 |
Normalized OD Score: sc h |
1.0173±0.0040332 |
Z-Score: |
0.9928±0.21017 |
p-Value: |
0.326156 |
Z-Factor: |
-10.1159 |
Fitness Defect: |
1.1204 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|C7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.70 Celcius | Date: | 2007-11-02 YYYY-MM-DD | Plate CH Control (+): | 0.041175±0.00342 | Plate DMSO Control (-): | 0.682725±0.11885 | Plate Z-Factor: | 0.4237 |
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7056597 |
[(5S,8S,9R,10S,13S,14R,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe nanthren-17-yl] acetate |
7056598 |
[(5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe nanthren-17-yl] acetate |
7056599 |
[(5S,8S,9S,10S,13S,14R,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe nanthren-17-yl] acetate |
7056624 |
[(5S,8S,9R,10S,13S,14S,17R)-3,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a] phenanthren-17-yl] acetate |
7056625 |
[(5S,8R,9R,10S,13S,14S,17R)-3,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a] phenanthren-17-yl] acetate |
7056626 |
[(5S,8S,9S,10S,13S,14S,17R)-3,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a] phenanthren-17-yl] acetate |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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