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: |
BNI1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6976±0.00544472 |
Normalized OD Score: sc h |
0.9776±0.00365753 |
Z-Score: |
-1.1070±0.215449 |
p-Value: |
0.273818 |
Z-Factor: |
-2.24185 |
Fitness Defect: |
1.2953 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 3|G11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.20 Celcius | Date: | 2007-09-14 YYYY-MM-DD | Plate CH Control (+): | 0.047825±0.01604 | Plate DMSO Control (-): | 0.694225±0.01759 | Plate Z-Factor: | 0.7638 |
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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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