| 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: |
NDI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7006±0.00657609 |
| Normalized OD Score: sc h |
0.9892±0.00381071 |
| Z-Score: |
-0.5021±0.176636 |
| p-Value: |
0.618354 |
| Z-Factor: |
-11.4186 |
| Fitness Defect: |
0.4807 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 20|A5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2008-03-13 YYYY-MM-DD | | Plate CH Control (+): | 0.040525±0.00125 | | Plate DMSO Control (-): | 0.6942±0.01992 | | Plate Z-Factor: | 0.8701 |
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ps
pdf |
| 196472 |
4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene-3,10-diol |
| 200100 |
2,2,11,11-tetramethyldodecane-1,12-diol |
| 213848 |
2,2,7,7-tetramethyloctane-1,8-diol |
| 215316 |
2,2,10,10-tetramethylundecane-1,11-diol |
| 219499 |
6-methylundecan-6-ol |
| 219501 |
5-butyldecan-5-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 | |
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