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Compound InformationSONAR Target prediction
Name:

MUNDULONE

Unique Identifier:SPE00200011
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H26O6
Molecular Weight:408.275 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1c2C=CC(C)(C)Oc2ccc1C1=COc2cc3OC(C)(C)C(O)Cc3cc2C1=O
Class:isoflavone
Source:Mundulea sericea
Reference:Tet Letters 1963, 281

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.2805±0.0205061
Normalized OD Score: sc h 0.3649±0.0288554
Z-Score: -21.2362±0.803874
p-Value: 0
Z-Factor: 0.599062
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|C5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09625±0.00629
Plate DMSO Control (-):0.9305000000000001±0.05108
Plate Z-Factor:0.6801
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2161 | Additional Members: 6 | Rows returned: 5
SPE00210201 0.572916666666667
LAT001G03 0.572916666666667
SPE01700330 0.55
SPE00210203 0
LAT001H03 0

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