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: |
CNB1 |
Replicates: |
2 |
Raw OD Value: r im |
0.8457±0.00558614 |
Normalized OD Score: sc h |
1.0081±0.00138882 |
Z-Score: |
0.3989±0.0630979 |
p-Value: |
0.690234 |
Z-Factor: |
-12.4306 |
Fitness Defect: |
0.3707 |
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: | 2006-03-03 YYYY-MM-DD | Plate CH Control (+): | 0.038025±0.00167 | Plate DMSO Control (-): | 0.8112±0.01814 | Plate Z-Factor: | 0.9399 |
| png ps pdf |
6427338 |
[(3S,4S,10R,13R)-4,10,13-trimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydr o-1H-cyclopenta[a]phenanthren-3-yl] acetate |
6427339 |
[(3S,4S,10R,13R)-17-[(2S)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodeca hydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
6427340 |
[(3S,4S,10R,13R)-17-[(2S)-5-ethyl-6-methyl-heptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-d odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
6427355 |
n/a |
6431293 |
[(E)-hexadec-13-enyl] acetate |
6431468 |
[(E)-hexadec-10-enyl] acetate |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
|