| 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: |
NDI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6447±0.00205061 |
| Normalized OD Score: sc h |
0.9601±0.00827508 |
| Z-Score: |
-1.8517±0.384508 |
| p-Value: |
0.0739272 |
| Z-Factor: |
-1.51494 |
| Fitness Defect: |
2.6047 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.10 Celcius | | Date: | 2008-03-13 YYYY-MM-DD | | Plate CH Control (+): | 0.039925±0.00147 | | Plate DMSO Control (-): | 0.659475±0.02103 | | Plate Z-Factor: | 0.9006 |
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ps
pdf |
| 93119 |
dodec-8-enyl acetate |
| 94225 |
[(3S,4aS,6aS,6aR,8aR,12aS,14aS,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,
14a-tetradecahydropicen-3-yl] acetate |
| 101839 |
octadec-9-enyl acetate |
| 160760 |
[(3S,6aR,6aR,6bR,8aS,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13
,14,14a-tetradecahydro-1H-picen-3-yl] acetate |
| 182441 |
[(3R,6aR,6aR,6bS,8aS,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,9,10,12,12a,13,14,14a-
tetradecahydropicen-3-yl] acetate |
| 222290 |
[17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H
-cyclopenta[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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