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: |
SWI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.5616±0.00325269 |
Normalized OD Score: sc h |
0.9897±0.000713712 |
Z-Score: |
-0.4719±0.0432878 |
p-Value: |
0.637126 |
Z-Factor: |
-29.5985 |
Fitness Defect: |
0.4508 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 12|A4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.20 Celcius | Date: | 2008-02-07 YYYY-MM-DD | Plate CH Control (+): | 0.042249999999999996±0.00118 | Plate DMSO Control (-): | 0.55885±0.01372 | Plate Z-Factor: | 0.9148 |
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26983 |
dodec-7-enyl acetate |
28169 |
dodec-9-enyl acetate |
86893 |
tetradec-7-enyl acetate |
88663 |
tetradec-11-enyl acetate |
92156 |
[(3S,4aS,6aR,6bS,8aR,12aR,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,1 4a-tetradecahydropicen-3-yl] acetate |
92842 |
[(3S,4aS,6aR,6bS,8aR,11R,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12 ,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate |
internal high similarity DBLink | Rows returned: 4 | |
nonactive | Cluster 1623 | Additional Members: 8 | Rows returned: 6 | |
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