| 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: |
ELG1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7298±0.013435 |
| Normalized OD Score: sc h |
0.9943±0.0131243 |
| Z-Score: |
-0.3533±0.818613 |
| p-Value: |
0.586408 |
| Z-Factor: |
-39.5175 |
| Fitness Defect: |
0.5337 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 1|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2007-10-10 YYYY-MM-DD | | Plate CH Control (+): | 0.039225±0.00152 | | Plate DMSO Control (-): | 0.714525±0.07163 | | Plate Z-Factor: | 0.6789 |
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ps
pdf |
| 11944016 |
n/a |
| 11944017 |
n/a |
| 11994750 |
(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-tritio-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]ph
enanthren-3-ol |
| 12000273 |
(3R,5S,8R,9S,10S,14S)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-
3-ol |
| 15942855 |
(3S,4aR,6aR,6bS,8aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tet
radecahydropicen-3-ol |
| 16058080 |
(3S,5S,9R,10S,13R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,1
6,17-dodecahydro-1H-cyclopenta[a]phenanthren-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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