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Compound InformationSONAR Target prediction
Name:

Dihydromunduletone

Unique Identifier:LAT001H03
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H28O6
Molecular Weight:396.264 g/mol
X log p:12.387  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc2OC(C)(C)C=Cc21

Found: 4 nonactive | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7857±0.00445477
Normalized OD Score: sc h 0.9673±0.00447425
Z-Score: -1.3115±0.709054
p-Value: 0.24388
Z-Factor: -0.802652
Fitness Defect: 1.4111
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00150
Plate DMSO Control (-):0.79905±0.01174
Plate Z-Factor:0.9475
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DBLink | Rows returned: 1
3492326 1-(3,7-dihydroxy-2,2-dimethyl-chroman-6-yl)-2-(5-methoxy-2,2-dimethyl-chromen-6-yl)ethanone

internal high similarity DBLink | Rows returned: 1
SPE00210203 1.0000

active | Cluster 2161 | Additional Members: 6 | Rows returned: 2
SPE00200011 0.477272727272727
SPE00210203 0

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