Compound Information | SONAR Target prediction | Name: | HIPTAGIN | Unique Identifier: | SPE00211152 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C18H24N4O18 | Molecular Weight: | 560.209 g/mol | X log p: | 1.046 (online calculus) | Lipinksi Failures | 1 | TPSA | 286.99 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 10 | Rotatable Bond Count: | 21 | Canonical Smiles: | [O-][N+](=O)CCC(=O)OCC1OC(O)C(OC(=O)CC[N+]([O-])=O)C(OC(=O)CC[N+]([O-] )=O)C1OC(=O)CC[N+]([O-])=O | Source: | ex the root bark of Hiptaga madablota | Reference: | Chem Zentralblatt 1921 I: 91 |
Species: |
4932 |
Condition: |
SPE00100009 |
Replicates: |
2 |
Raw OD Value: r im |
0.5709±0.0221324 |
Normalized OD Score: sc h |
0.9990±0.00592441 |
Z-Score: |
-0.0410±0.205159 |
p-Value: |
0.884752 |
Z-Factor: |
-6.53993 |
Fitness Defect: |
0.1224 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|D10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.50 Celcius | Date: | 2006-11-29 YYYY-MM-DD | Plate CH Control (+): | 0.039400000000000004±0.00191 | Plate DMSO Control (-): | 0.5848±0.04470 | Plate Z-Factor: | 0.7786 |
| png ps pdf |
DBLink | Rows returned: 4 | |
182708 |
[(2S,3R,4S,5R,6R)-2,5-dihydroxy-3-(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)oxan-4-yl] 3-nitropropanoate |
4239801 |
[2-hydroxy-3,5-bis(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)oxan-4-yl] 3-nitropropanoate |
6708766 |
[(2R,3S,4S,5S,6R)-2-hydroxy-3,5-bis(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)oxan-4-yl] 3-nitropropanoate |
6710740 |
[(2R,3R,4S,5R,6R)-2-hydroxy-3,5-bis(3-nitropropanoyloxy)-6-(3-nitropropanoyloxymethyl)oxan-4-yl] 3-nitropropanoate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 3476 | Additional Members: 1 | Rows returned: 0 | |
|