| Compound Information | SONAR Target prediction | | Name: | beta-CARYOPHYLLENE ALCOHOL | | Unique Identifier: | SPE00300105 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 196.16 g/mol | | X log p: | -0.484 (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)CC2C1CCC1(C)CCCC2(O)C1 | | Class: | sesquiterpene | | Source: | palmarosa oil, Cymbopogon martini | | Reference: | Aust J Chem 41: 1755 (1988) | | 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3558±0.0159099 |
| Normalized OD Score: sc h |
0.7950±0.023679 |
| Z-Score: |
-6.0224±0.600577 |
| p-Value: |
0.0000000109141 |
| Z-Factor: |
-0.0927927 |
| Fitness Defect: |
18.3332 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2008-02-05 YYYY-MM-DD | | Plate CH Control (+): | 0.041225±0.00051 | | Plate DMSO Control (-): | 0.45687500000000003±0.02238 | | Plate Z-Factor: | 0.8259 |
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| 3586567 |
2-norbornan-2-ylethanol |
| 3592869 |
triacontan-12-ol |
| 3595581 |
n/a |
| 3603585 |
3-(2-methylpropyl)-5-propan-2-yl-cyclohexan-1-ol |
| 3603882 |
17-(2-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthren-3-ol |
| 3605049 |
[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-yl]oxidanium |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 8273 | Additional Members: 1 | Rows returned: 0 | |
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