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Compound InformationSONAR Target prediction
Name:

MUNDULONE ACETATE

Unique Identifier:SPE01700330
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28H28O7
Molecular Weight:448.295 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(Cc3cc2C1=O)OC(C)=O
Class:isoflavone
Source:derivative

Found: 104 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.7342±0.00572756
Normalized OD Score: sc h 1.0322±0.00168313
Z-Score: 1.4877±0.0794454
p-Value: 0.137451
Z-Factor: -1.98539
Fitness Defect: 1.9845
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.039999999999999994±0.00081
Plate DMSO Control (-):0.6819500000000001±0.01901
Plate Z-Factor:0.9244
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2161 | Additional Members: 6 | Rows returned: 3
SPE00200011 0.477272727272727
SPE00210203 0
LAT001H03 0

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