| Compound Information | SONAR Target prediction | | Name: | beta-AMYRIN | | Unique Identifier: | SPE00100360 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 376.32 g/mol | | X log p: | 2.864 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | | Class: | triterpene | | Source: | widespread in plants | | Reference: | Phytochemistry 9: 1669 (1970) | | Generic_name: | 16,17-ANDROSTENE-3-OL | | Chemical_iupac_name: | 16,17-ANDROSTENE-3-OL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00580 | | Logp: | 4.38 | | Drug_category: | Constitutive Androstane Receptor inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6724±0.0026163 |
| Normalized OD Score: sc h |
0.9916±0.0145822 |
| Z-Score: |
-0.3596±0.616086 |
| p-Value: |
0.682932 |
| Z-Factor: |
-277.207 |
| Fitness Defect: |
0.3814 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.80 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.041749999999999995±0.00061 | | Plate DMSO Control (-): | 0.6562250000000001±0.02267 | | Plate Z-Factor: | 0.9041 |
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ps
pdf |
| 3008607 |
(3R,6aR,6bS,8aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahyd
ropicen-3-ol |
| 3008608 |
(3R,6aR,6bS,8aR,11R,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradeca
hydro-1H-picen-3-ol |
| 3034659 |
(3S,6aR,6aR,6bR,8aS,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,
14,14a-tetradecahydro-1H-picen-3-ol |
| 3036460 |
3-methyl-9-(2,3,6,6-tetramethyl-1-cyclohexenyl)nonan-1-ol |
| 3462371 |
4,4,6a,6b,9,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,8a,9,10,11,12,12a,14,14a-hexadecahydropicen-3-ol |
| 3575286 |
1-(1,2,4-trimethyl-1-cyclohex-3-enyl)pentan-3-ol |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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