| 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: |
RGP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3423±0.0046669 |
| Normalized OD Score: sc h |
0.7710±0.00531676 |
| Z-Score: |
-5.9771±0.0579517 |
| p-Value: |
0.00000000234098 |
| Z-Factor: |
0.507966 |
| Fitness Defect: |
19.8727 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|C10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00204 | | Plate DMSO Control (-): | 0.4414±0.01397 | | Plate Z-Factor: | 0.8920 |
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ps
pdf |
| 620162 |
17-(5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phena
nthrene-3,12-diol |
| 623439 |
10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| 634598 |
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol |
| 1201551 |
(2S)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol |
| 1549992 |
(2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol |
| 1616126 |
(2R)-6-methyl-2-[(1S)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol |
| internal high similarity DBLink | Rows returned: 9 | 1 2 Next >> |
| active | Cluster 783 | Additional Members: 1 | Rows returned: 0 | |
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