| 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: |
ROT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8418±0.000282843 |
| Normalized OD Score: sc h |
1.0036±0.00241449 |
| Z-Score: |
0.1698±0.116387 |
| p-Value: |
0.865584 |
| Z-Factor: |
-6.80073 |
| Fitness Defect: |
0.1444 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2006-05-05 YYYY-MM-DD | | Plate CH Control (+): | 0.03855±0.00228 | | Plate DMSO Control (-): | 0.809825±0.02099 | | Plate Z-Factor: | 0.9138 |
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| 1915107 |
[(2S)-4-[(1S,4S,6R)-6-methyl-6-bicyclo[2.2.1]hept-2-enyl]butan-2-yl] acetate |
| 2748098 |
(10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3
-yl) acetate |
| 2748250 |
(10,17,17-trimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate |
| 2754150 |
[(5S,10S,13S)-3-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthr
en-17-yl] acetate |
| 2754163 |
[(5S,10S,13S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1
7-yl] acetate |
| 2754175 |
[(5S,10S,13S,17S)-3,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthre
n-17-yl] acetate |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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