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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 2 3 4 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.2063±0.0371231
Normalized OD Score: sc h 0.3314±0.0602586
Z-Score: -31.2231±3.91007
p-Value: 0
Z-Factor: 0.607555
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00128
Plate DMSO Control (-):0.606325±0.01610
Plate Z-Factor:0.9119
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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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