| Compound Information | SONAR Target prediction | | Name: | CAMPHOR (1R) | | Unique Identifier: | SPE01500156 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 136.106 g/mol | | X log p: | -0.875 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)C2CCC1(C)C(=O)C2 | | Class: | terpene | | Source: | Cinnamomum camphora | | Therapeutics: | analgesic, antiinfective, antipruritic | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
VPS35 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7072±0.00813173 |
| Normalized OD Score: sc h |
1.0086±0.00643058 |
| Z-Score: |
0.4336±0.3303 |
| p-Value: |
0.673072 |
| Z-Factor: |
-9.08664 |
| Fitness Defect: |
0.3959 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2008-02-20 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00075 | | Plate DMSO Control (-): | 0.689375±0.02110 | | Plate Z-Factor: | 0.9223 |
|  png
ps
pdf |
| 16037247 |
(5R)-2-methyl-5-propan-2-yl-cyclohexan-1-one |
| 16044786 |
octanal |
| 16055578 |
n/a |
| 16057253 |
n/a |
| 16059118 |
cyclopentane; dicyclopentylmethanone; iron(+2) cation |
| 16061343 |
(5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,
15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 10613 | Additional Members: 2 | Rows returned: 0 | |
|
