| Compound Information | SONAR Target prediction | | Name: | 3-NOR-3-OXOPANASINSAN-6-OL | | Unique Identifier: | SPE00300110 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 200.149 g/mol | | X log p: | -1.167 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CC23C1CCC2(C)C(O)CCC3=O | | Class: | sesquiterpene | | Source: | derivative Panax ginseng | | Reference: | Chem Pharm Bull 35: 1975 (1987) |
| Species: |
4932 |
| Condition: |
GPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7781±0.0376181 |
| Normalized OD Score: sc h |
1.0093±0.000664 |
| Z-Score: |
0.2636±0.0350817 |
| p-Value: |
0.792164 |
| Z-Factor: |
-15.3908 |
| Fitness Defect: |
0.233 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2006-03-02 YYYY-MM-DD | | Plate CH Control (+): | 0.038275±0.00071 | | Plate DMSO Control (-): | 0.7631749999999999±0.02921 | | Plate Z-Factor: | 0.9073 |
|  png
ps
pdf |
| 227666 |
(5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopen
ta[a]phenanthrene-3,11-dione |
| 227669 |
(5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocycl
openta[a]phenanthren-17-one |
| 229699 |
7-hydroxy-7-methyl-decan-4-one |
| 244945 |
3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17
-one |
| 246161 |
(5R,8R,9S,10S,12S,13R,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tet
radecahydrocyclopenta[a]phenanthren-3-one |
| 246205 |
1-[(3R,5R,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tet
radecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
|
