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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 2 3 4 5 6 7 8 9 10  Next >> [100]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7311±0.00275772
Normalized OD Score: sc h 0.9957±0.000966642
Z-Score: -0.2315±0.0566923
p-Value: 0.817086
Z-Factor: -112.124
Fitness Defect: 0.202
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00110
Plate DMSO Control (-):0.7124250000000001±0.01605
Plate Z-Factor:0.9098
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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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