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: |
pdr_yCG196 |
Replicates: |
2 |
Raw OD Value: r im |
0.7710±0.0452548 |
Normalized OD Score: sc h |
1.0148±0.0323284 |
Z-Score: |
0.5002±1.08499 |
p-Value: |
0.497228 |
Z-Factor: |
-8.86786 |
Fitness Defect: |
0.6987 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 14|H4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.095±0.00999 | Plate DMSO Control (-): | 0.93275±0.01656 | Plate Z-Factor: | 0.8939 |
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6452424 |
[(3S,6aR,6bS,8aR,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetrade cahydropicen-3-yl] acetate |
6566110 |
[(1S)-1-[(5R,8S,9S,10R,13S,14R,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen ta[a]phenanthren-17-yl]ethyl] acetate |
6581828 |
[(2S)-4-[(1R,4R,6S)-6-methyl-6-bicyclo[2.2.1]hept-2-enyl]butan-2-yl] acetate |
6708527 |
[(3S,6aR,6bS,8aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahy dropicen-3-yl] acetate |
7007406 |
[(2S)-4-[(1R,4S,6R)-6-methyl-6-bicyclo[2.2.1]hept-2-enyl]butan-2-yl] acetate |
7052365 |
[(3S,5S,8S,9R,10S,13S,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 |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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