Compound Information | SONAR Target prediction | Name: | SITOSTERYL ACETATE | Unique Identifier: | SPE00107023 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C31H52O2 | Molecular Weight: | 404.331 g/mol | X log p: | 3.772 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 8 | Canonical Smiles: | CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C | Source: | ex widespread in plants | Reference: | J Am Chem Soc 48: 2987 (1926) |
Species: |
4932 |
Condition: |
ARP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7400±0.000636396 |
Normalized OD Score: sc h |
0.9978±0.00252767 |
Z-Score: |
-0.1141±0.135898 |
p-Value: |
0.909612 |
Z-Factor: |
-20.9993 |
Fitness Defect: |
0.0947 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.20 Celcius | Date: | 2006-03-23 YYYY-MM-DD | Plate CH Control (+): | 0.0407±0.00162 | Plate DMSO Control (-): | 0.7271000000000001±0.00959 | Plate Z-Factor: | 0.9459 |
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540889 |
(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
541139 |
(3-acetyloxy-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17- yl) acetate |
547784 |
[17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen anthren-3-yl] acetate |
570648 |
[10,13-dimethyl-17-(3,4,5,6-tetramethylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclope nta[a]phenanthren-3-yl] acetate |
583593 |
(4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl) acetate |
583605 |
n/a |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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