| 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: |
MCM21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6725±0.00388909 |
| Normalized OD Score: sc h |
1.0095±0.00631546 |
| Z-Score: |
0.4770±0.335155 |
| p-Value: |
0.642784 |
| Z-Factor: |
-9.54351 |
| Fitness Defect: |
0.4419 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2007-11-07 YYYY-MM-DD | | Plate CH Control (+): | 0.0413±0.00385 | | Plate DMSO Control (-): | 0.659775±0.11736 | | Plate Z-Factor: | 0.3780 |
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ps
pdf |
| 6427338 |
[(3S,4S,10R,13R)-4,10,13-trimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydr
o-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6427339 |
[(3S,4S,10R,13R)-17-[(2S)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodeca
hydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6427340 |
[(3S,4S,10R,13R)-17-[(2S)-5-ethyl-6-methyl-heptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6427355 |
n/a |
| 6431293 |
[(E)-hexadec-13-enyl] acetate |
| 6431468 |
[(E)-hexadec-10-enyl] acetate |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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