| 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: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8305±0.00424264 |
| Normalized OD Score: sc h |
1.0130±0.00813881 |
| Z-Score: |
0.7359±0.471022 |
| p-Value: |
0.486084 |
| Z-Factor: |
-6.36636 |
| Fitness Defect: |
0.7214 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-02-14 YYYY-MM-DD | | Plate CH Control (+): | 0.03835±0.00098 | | Plate DMSO Control (-): | 0.787±0.01574 | | Plate Z-Factor: | 0.9347 |
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ps
pdf |
| 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 | |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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