| 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: |
NPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.9701±0.00565685 |
| Normalized OD Score: sc h |
0.9845±0.0103447 |
| Z-Score: |
0.9016±0.136678 |
| p-Value: |
0.36949 |
| Z-Factor: |
-6.85354 |
| Fitness Defect: |
0.9956 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 14|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2012-09-18 YYYY-MM-DD | | Plate CH Control (+): | 0.0015750000000000002±0.00268 | | Plate DMSO Control (-): | 1.001125±0.02752 | | Plate Z-Factor: | 0.8983 |
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| 1747972 |
(2S)-2-methyl-4-[(1R)-2,2,3-trimethyl-1-cyclopent-3-enyl]butan-1-ol |
| 1747973 |
(2S)-2-methyl-4-[(1S)-2,2,3-trimethyl-1-cyclopent-3-enyl]butan-1-ol |
| 1797856 |
(3S)-1-[(1R,2R)-1,2,4-trimethyl-1-cyclohex-3-enyl]pentan-3-ol |
| 2748207 |
(3R,5R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 2748228 |
4-(10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-1-o
l |
| 2825522 |
13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[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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