| Compound Information | SONAR Target prediction | | Name: | CADIN-4-EN-10-OL | | Unique Identifier: | SPE00300055 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 196.16 g/mol | | X log p: | 2.173 (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)(O)C2CCC(C)=CC12 | | Class: | sesquiterpene | | Source: | Chamaecyparis spp and Juniperus spp. | | Reference: | Tet Lett 1968: 1913 |
| Species: |
4932 |
| Condition: |
LAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5855±0.00841457 |
| Normalized OD Score: sc h |
0.8759±0.00276741 |
| Z-Score: |
-6.1123±0.254332 |
| p-Value: |
0.00000000164846 |
| Z-Factor: |
0.535266 |
| Fitness Defect: |
20.2234 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|C10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.40 Celcius | | Date: | 2008-04-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040374999999999994±0.00045 | | Plate DMSO Control (-): | 0.660625±0.01078 | | Plate Z-Factor: | 0.9479 |
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ps
pdf |
| 3878972 |
n/a |
| 4979342 |
8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropi
cen-3-ol |
| 5315592 |
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
| 5315594 |
(1R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
| 5319977 |
(3S,14bS)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetrad
ecahydropicen-3-ol |
| 5321608 |
(3R)-8a-(hydroxymethyl)-4,4,6a,6a,11,12,14b-heptamethyl-2,3,4a,5,6,8,9,10,11,12,12a,13,14,14a-tetradecah
ydro-1H-picen-3-ol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 783 | Additional Members: 1 | Rows returned: 0 | |
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