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Compound InformationSONAR Target prediction
Name:

DIHYDROMUNDULETONE

Unique Identifier:SPE00210203
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H28O6
Molecular Weight:396.264 g/mol
X log p:12.387  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc2OC(C)(C)C=Cc21
Source:derivative of mundulone
Reference:Proc Chem Soc 1959: 150

Found: 498 nonactive | as graph: single | with analogs [1] << Back 461 462 463 464 465 466 467 468 469 470  Next >> [498]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7770±0.011738
Normalized OD Score: sc h 0.9994±0.00106215
Z-Score: -0.0225±0.0401314
p-Value: 0.977368
Z-Factor: -16.7867
Fitness Defect: 0.0229
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.0383±0.00117
Plate DMSO Control (-):0.773825±0.01483
Plate Z-Factor:0.9243
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DBLink | Rows returned: 1
3492326 1-(3,7-dihydroxy-2,2-dimethyl-chroman-6-yl)-2-(5-methoxy-2,2-dimethyl-chromen-6-yl)ethanone

internal high similarity DBLink | Rows returned: 0

active | Cluster 2161 | Additional Members: 6 | Rows returned: 2
SPE00200011 0.477272727272727
LAT001H03 0

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