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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: 100 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [100]
Species: 4932
Condition: GBP2
Replicates: 2
Raw OD Value: r im 0.7112±0.00480833
Normalized OD Score: sc h 0.9922±0.00463757
Z-Score: -0.3502±0.208766
p-Value: 0.729022
Z-Factor: -48.3059
Fitness Defect: 0.3161
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-03-26 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00172
Plate DMSO Control (-):0.7079±0.02384
Plate Z-Factor:0.8884
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2161 | Additional Members: 6 | Rows returned: 2
SPE00210203 0
LAT001H03 0

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