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: |
BCK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7649±0.00961665 |
Normalized OD Score: sc h |
1.0003±0.00818183 |
Z-Score: |
0.0348±0.348858 |
p-Value: |
0.805272 |
Z-Factor: |
-20.8029 |
Fitness Defect: |
0.2166 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|C7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.60 Celcius | Date: | 2006-03-29 YYYY-MM-DD | Plate CH Control (+): | 0.03785±0.00189 | Plate DMSO Control (-): | 0.74605±0.01532 | Plate Z-Factor: | 0.9184 |
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7052366 |
[(3S,5S,8S,9R,10S,13S,14R,17E)-10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecah ydrocyclopenta[a]phenanthren-3-yl] acetate |
7052367 |
[(3S,5S,8S,9R,10S,13R,14S,17E)-10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecah ydrocyclopenta[a]phenanthren-3-yl] acetate |
7052368 |
[(3S,5S,8S,9R,10S,13R,14R,17E)-10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecah ydrocyclopenta[a]phenanthren-3-yl] acetate |
7052938 |
[(3R,5R,8R,9R,10R)-10,17,17-trimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthre n-3-yl] acetate |
7052939 |
[(3S,5R,8R,9R,10R)-10,17,17-trimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthre n-3-yl] acetate |
7052940 |
[(3R,5R,8R,9R,10S)-10,17,17-trimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthre n-3-yl] acetate |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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