| 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: |
RSA3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6996±0.00353553 |
| Normalized OD Score: sc h |
0.9872±0.00506694 |
| Z-Score: |
-0.5558±0.216592 |
| p-Value: |
0.58277 |
| Z-Factor: |
-5.4547 |
| Fitness Defect: |
0.54 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2008-04-01 YYYY-MM-DD | | Plate CH Control (+): | 0.042475±0.00269 | | Plate DMSO Control (-): | 0.7038500000000001±0.01898 | | Plate Z-Factor: | 0.9317 |
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ps
pdf |
| 3302 |
17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol |
| 8927 |
octadec-9-en-1-ol |
| 13765 |
(8R,9R,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phe
nanthren-17-ol |
| 17311 |
(5S,8S,9S,10S,13S,14S,17S)-2,10,13,17-tetramethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]p
henanthren-17-ol |
| 18651 |
(5S,8S,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phena
nthren-17-ol |
| 28142 |
(9R,14S,17S)-17-ethyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17
-ol |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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