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: |
VID30 |
Replicates: |
2 |
Raw OD Value: r im |
0.6508±0.00813173 |
Normalized OD Score: sc h |
0.9871±0.00967382 |
Z-Score: |
-0.6203±0.451177 |
p-Value: |
0.55536 |
Z-Factor: |
-4.9794 |
Fitness Defect: |
0.5881 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 12|A4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.50 Celcius | Date: | 2007-12-05 YYYY-MM-DD | Plate CH Control (+): | 0.0411±0.00067 | Plate DMSO Control (-): | 0.6428±0.01218 | Plate Z-Factor: | 0.9398 |
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5704598 |
[(17E)-10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenant hren-3-yl] acetate |
6427284 |
[(3S,10S,13R)-17-[(2S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahy dro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
6427289 |
[(3S,10S,13R)-17-[(E,2R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
6427299 |
[(5S)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[ a]phenanthren-3-yl] acetate |
6427300 |
[(3S,5R,10S,13R)-17-[(E,2R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15, 16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
6427316 |
n/a |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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