| 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: |
NUP100 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7677±0.0124451 |
| Normalized OD Score: sc h |
1.0151±0.00191786 |
| Z-Score: |
1.0322±0.138824 |
| p-Value: |
0.304322 |
| Z-Factor: |
-20.4088 |
| Fitness Defect: |
1.1897 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.60 Celcius | | Date: | 2007-08-28 YYYY-MM-DD | | Plate CH Control (+): | 0.0404±0.00056 | | Plate DMSO Control (-): | 0.7372750000000001±0.03571 | | Plate Z-Factor: | 0.8165 |
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ps
pdf |
| 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 | |
|
