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: |
DUN1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6975±0.0123744 |
Normalized OD Score: sc h |
1.0180±0.0041548 |
Z-Score: |
0.6741±0.129902 |
p-Value: |
0.502032 |
Z-Factor: |
-1.60688 |
Fitness Defect: |
0.6891 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|C7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.20 Celcius | Date: | 2006-04-20 YYYY-MM-DD | Plate CH Control (+): | 0.038400000000000004±0.00198 | Plate DMSO Control (-): | 0.6740750000000001±0.01189 | Plate Z-Factor: | 0.9285 |
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4443135 |
[17-(5,6-dimethylhept-3-en-2-yl)-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy dro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
4643778 |
4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentyl acetate |
4694538 |
n/a |
5010322 |
[17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta [a]phenanthren-3-yl] acetate |
5014466 |
(2,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
5145960 |
(3,10,13-trimethyl-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 | |
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