| 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: |
FET3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6958±0.00650538 |
| Normalized OD Score: sc h |
0.9885±0.00903686 |
| Z-Score: |
-0.4966±0.403331 |
| p-Value: |
0.633452 |
| Z-Factor: |
-5.45211 |
| Fitness Defect: |
0.4566 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2008-01-10 YYYY-MM-DD | | Plate CH Control (+): | 0.040975±0.00048 | | Plate DMSO Control (-): | 0.680325±0.01146 | | Plate Z-Factor: | 0.9513 |
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| 5364469 |
(E)-dodec-8-en-1-ol |
| 5364483 |
(E)-pentadec-10-en-1-ol |
| 5364514 |
(9E)-cycloheptadec-9-en-1-ol |
| 5364523 |
(E)-icos-9-en-1-ol |
| 5364635 |
(E)-pentadec-11-en-1-ol |
| 5364671 |
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-c
yclopenta[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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