| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7211±0.000494975 |
| Normalized OD Score: sc h |
1.0041±0.00420726 |
| Z-Score: |
0.2232±0.231929 |
| p-Value: |
0.825708 |
| Z-Factor: |
-18.2745 |
| Fitness Defect: |
0.1915 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.40 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0412±0.00025 | | Plate DMSO Control (-): | 0.69275±0.12390 | | Plate Z-Factor: | 0.4147 |
|  png
ps
pdf |
| 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 | |
|
