| 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: |
HTZ1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4099±0.112218 |
| Normalized OD Score: sc h |
1.5334±0.13197 |
| Z-Score: |
2.8000±2.27056 |
| p-Value: |
0.116155 |
| Z-Factor: |
-1.94733 |
| Fitness Defect: |
2.1528 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2007-09-26 YYYY-MM-DD | | Plate CH Control (+): | 0.040625±0.00079 | | Plate DMSO Control (-): | 0.22970000000000002±0.09151 | | Plate Z-Factor: | -0.9229 |
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ps
pdf |
| 3786469 |
heptadec-11-enyl acetate |
| 4097568 |
1-(10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl
acetate |
| 4108829 |
(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
| 4156447 |
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe
nanthren-3-yl] acetate |
| 4211180 |
(3-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| 4254573 |
(10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
|
