| Compound Information | SONAR Target prediction | | Name: | CEDROL | | Unique Identifier: | SPE00307059 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 197.168 g/mol | | X log p: | 0.0649999999999999 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC2C(C)(C)C3CC12CCC3(C)O | | Class: | sesquiterpene | | Source: | Common constitutent in the Family Cupressaceae | | Reference: | J Org Chem 43: 1964 (1978) | | Therapeutics: | acaricide | | 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: |
CHS3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4571±0.0521845 |
| Normalized OD Score: sc h |
0.7003±0.07569 |
| Z-Score: |
-13.8268±3.17386 |
| p-Value: |
2.52758e-31 |
| Z-Factor: |
0.022475 |
| Fitness Defect: |
70.4529 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2008-06-20 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00078 | | Plate DMSO Control (-): | 0.6517±0.01347 | | Plate Z-Factor: | 0.9316 |
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ps
pdf |
| 4247827 |
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-1-ol |
| 4285236 |
3-cyclopentyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthre
n-17-ol |
| 4321385 |
8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,6b,7,8,9,10,12,12a,13,14,14a-hexadecahyd
ropicen-3-ol |
| 4326184 |
1,5-dimethyl-2-propan-2-yl-cyclohexan-1-ol |
| 4329920 |
1-ethylcyclododecan-1-ol |
| 4350930 |
6-methylheptan-1-ol; titanium |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
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