| 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) |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 11 12 13 14 15 16 17 18 19 20 Next >> [205] |
| Species: | 4932 |
| Condition: | CKA2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8657±0.00940452 |
| Normalized OD Score: sc h | 1.0197±0.00372031 |
| Z-Score: | 0.7040±0.101458 |
| p-Value: | 0.482568 |
| Z-Factor: | -5.34445 |
| Fitness Defect: | 0.7286 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 188 | [1] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [32] |
| 5367692 | [(E)-tetradec-11-enyl] acetate |
| 5367701 | [(E)-13-methyltetradec-11-enyl] acetate |
| 5367730 | [(E)-13,13-dimethyltetradec-11-enyl] acetate |
| 5367733 | [(E)-13,13-dimethyltetradec-11-enyl] acetate |
| 5458941 | [(3S,4aS,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 |
| 5459208 | n/a |
| internal high similarity DBLink | Rows returned: 4 |
| SPE00307058 | 0.9123 |
| SPE00310003 | 0.9123 |
| SPE00310030 | 0.9231 |
| SPE00100583 | 0.9811 |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 |
| SPE01505133 | 0.342105263157895 |
| SPE01800123 | 0.328767123287671 |
| SPE01504016 | 0.256756756756757 |
| SPE00102058 | 0.246575342465753 |
| SPE00100550 | 0 |
Service provided by the
Mike Tyers Laboratory