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: |
STO1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5322±0.0160513 |
Normalized OD Score: sc h |
0.9480±0.0183994 |
Z-Score: |
-1.8431±0.623021 |
p-Value: |
0.0915798 |
Z-Factor: |
-2.72045 |
Fitness Defect: |
2.3905 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 12|A4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.10 Celcius | Date: | 2007-12-06 YYYY-MM-DD | Plate CH Control (+): | 0.040975±0.00033 | Plate DMSO Control (-): | 0.527575±0.01990 | Plate Z-Factor: | 0.8692 |
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617759 |
(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate |
628830 |
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenant hren-3-yl] acetate |
634692 |
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenan thren-3-yl] acetate |
634896 |
(4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-yl) acetate |
635292 |
n/a |
635335 |
[4,4,8,10,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phen anthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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