| 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: |
CLN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7405±0.000212132 |
| Normalized OD Score: sc h |
1.0445±0.00888308 |
| Z-Score: |
1.0723±0.343325 |
| p-Value: |
0.297662 |
| Z-Factor: |
-10.3424 |
| Fitness Defect: |
1.2118 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 14|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.08375±0.01283 | | Plate DMSO Control (-): | 0.8485±0.04289 | | Plate Z-Factor: | 0.7943 |
|  png
ps
pdf |
| 5175176 |
4-(6-methyl-6-bicyclo[2.2.1]hept-2-enyl)butan-2-yl acetate |
| 5205968 |
(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 |
| 5275228 |
[(3S,6aR,6bS,8aR,11R,12S,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-te
tradecahydro-1H-picen-3-yl] acetate |
| 5318295 |
[(3S,6aR,8aR,12S,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecah
ydro-1H-picen-3-yl] acetate |
| 5318302 |
[(3S,6aR,8aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydrop
icen-3-yl] acetate |
| 5321632 |
[(3S,6aR,8aR,12aS,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradeca
hydropicen-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
|
