| 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: |
CLA4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6861±0.0179605 |
| Normalized OD Score: sc h |
0.9907±0.0201314 |
| Z-Score: |
-0.3941±0.871387 |
| p-Value: |
0.568324 |
| Z-Factor: |
-148.053 |
| Fitness Defect: |
0.5651 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 1|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2007-09-12 YYYY-MM-DD | | Plate CH Control (+): | 0.04055±0.00109 | | Plate DMSO Control (-): | 0.6667000000000001±0.02938 | | Plate Z-Factor: | 0.8338 |
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ps
pdf |
| 103212 |
3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pentan-2-ol |
| 106776 |
2-[2-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethyl]cyclopentan-1-ol |
| 122857 |
(3S,4aS,6aR,6aS,6bR,8aR,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-
tetradecahydropicen-3-ol |
| 151449 |
(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenant
hren-3-ol |
| 156497 |
n/a |
| 165590 |
n/a |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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