| 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: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6147±0.00883884 |
| Normalized OD Score: sc h |
0.9850±0.00553304 |
| Z-Score: |
0.2958±0.296558 |
| p-Value: |
0.772308 |
| Z-Factor: |
-16.9341 |
| Fitness Defect: |
0.2584 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 29.40 Celcius | | Date: | 2008-04-02 YYYY-MM-DD | | Plate CH Control (+): | 0.049075±0.00322 | | Plate DMSO Control (-): | 0.620425±0.02272 | | Plate Z-Factor: | 0.8657 |
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| 5283305 |
(E)-hexadec-11-en-1-ol |
| 5283647 |
(3S,5S,9R,10R,13R,17R)-17-[(2R,5S)-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 |
| 5283650 |
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,
8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283658 |
(3S,5S,9R,10R,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-
dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283665 |
(3S,5S,9R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecah
ydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283666 |
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14
,15,16,17-tetradecahydro-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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