| Compound Information | SONAR Target prediction | | Name: | MENTHOL(-) | | Unique Identifier: | SPE01503134 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 136.106 g/mol | | X log p: | -0.347 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(C)C1CCC(C)CC1O | | Class: | terpene | | Source: | Mentha piperita and other Mentha spp | | Therapeutics: | analgesic (topical), antipruritic agent | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
NPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.9598±0.0132229 |
| Normalized OD Score: sc h |
0.9427±0.00452389 |
| Z-Score: |
-0.4319±0.437807 |
| p-Value: |
0.68052 |
| Z-Factor: |
-0.68776 |
| Fitness Defect: |
0.3849 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 1|B3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2012-09-18 YYYY-MM-DD | | Plate CH Control (+): | 0.0081±0.00469 | | Plate DMSO Control (-): | 1.0006249999999999±0.02736 | | Plate Z-Factor: | 0.9248 |
|  png
ps
pdf |
| 957 |
octan-1-ol |
| 1107 |
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 1213 |
4,8a-dimethyldecalin-4a-ol |
| 1254 |
5-methyl-2-propan-2-yl-cyclohexan-1-ol |
| 2682 |
hexadecan-1-ol |
| 3240 |
10,13-dimethyl-17-(6-methylheptan-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: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4541 | Additional Members: 2 | Rows returned: 0 | |
|
