| Compound Information | SONAR Target prediction | | Name: | IRIDIN | | Unique Identifier: | SPE00200793 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 496.249 g/mol | | X log p: | 9.483 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 72.45 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 13 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | COc1cc(cc(O)c1OC)C1=COc2cc(OC3OC(CO)C(O)C(O)C3O)c(OC)c(O)c2C1=O | | Class: | isoflavone glycoside | | Source: | Iris spp. | | Reference: | J Chem Soc 1928:1022; Phytochemistry 22:2061 (1983); Prog Chem Org Nat Prod 43:1
(1983) |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8155±0.0155563 |
| Normalized OD Score: sc h |
1.0087±0.0109676 |
| Z-Score: |
0.1447±0.585189 |
| p-Value: |
0.682186 |
| Z-Factor: |
-24.4009 |
| Fitness Defect: |
0.3825 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 15|G4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09950000000000002±0.00698 | | Plate DMSO Control (-): | 0.94575±0.01640 | | Plate Z-Factor: | 0.9371 |
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| DBLink | Rows returned: 4 | |
| 5281777 |
5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyme
thyl)oxan-2-yl]oxy-chromen-4-one |
| 5318472 |
5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyme
thyl)oxan-2-yl]oxy-chromen-4-one |
| 5318487 |
5-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl
)oxan-2-yl]oxy-chromen-4-one |
| 6063288 |
5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ox
y-chromen-4-one |
| internal high similarity DBLink | Rows returned: 1 | |
| nonactive | Cluster 9315 | Additional Members: 4 | Rows returned: 3 | |
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