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Compound InformationSONAR 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 Failures2
TPSA72.45
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)

Found: 205 nonactive as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.4713±0.0173948
Normalized OD Score: sc h 1.0019±0.00722808
Z-Score: 0.0536±0.226761
p-Value: 0.872792
Z-Factor: -140.271
Fitness Defect: 0.1361
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00094
Plate DMSO Control (-):0.459275±0.01057
Plate Z-Factor:0.8972
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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
JFD 02375 0.9198

nonactive | Cluster 9315 | Additional Members: 4 | Rows returned: 3
SPE00211076 0.52112676056338
SPE00201181 0.17910447761194
SPE00200763 0

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