| 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: |
MDH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7649±0.0330926 |
| Normalized OD Score: sc h |
1.0051±0.0070931 |
| Z-Score: |
0.2677±0.373807 |
| p-Value: |
0.796004 |
| Z-Factor: |
-27.1171 |
| Fitness Defect: |
0.2282 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2007-08-07 YYYY-MM-DD | | Plate CH Control (+): | 0.040150000000000005±0.00041 | | Plate DMSO Control (-): | 0.746675±0.02229 | | Plate Z-Factor: | 0.9287 |
|  png
ps
pdf |
| 596550 |
n/a |
| 606364 |
3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11
-one |
| 616200 |
17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr
en-12-one |
| 616684 |
3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6
-one |
| 623023 |
cyclopentane; 7-hydroxy-6,7-dihydro-5H-inden-4-one; iron |
| 627590 |
17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dio
ne |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
|
