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Compound InformationSONAR Target prediction
Name:

HETEROPEUCENIN, METHYL ETHER

Unique Identifier:SPE00100529
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:6.998  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(O)c2C(=O)C=C(C)Oc2c1CC=C(C)C
Class:chromone
Source:Ptaeroxylon obliquum, Harrisonia perforate ,Neochamaelea pulverulenta.
Reference:Tetrahedron Letters 1967:2737

Found: 97 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [97]
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.3430±0.00289914
Normalized OD Score: sc h 0.8167±0.0092016
Z-Score: -4.7878±0.303889
p-Value: 0.00000268702
Z-Factor: 0.289989
Fitness Defect: 12.8271
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00052
Plate DMSO Control (-):0.42427499999999996±0.01420
Plate Z-Factor:0.8918
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DBLink | Rows returned: 1
4643333 5-hydroxy-7-methoxy-2-methyl-8-(3-methylbut-2-enyl)chromen-4-one

internal high similarity DBLink | Rows returned: 3
SPE00200447 0.9250
SPE00200449 0.9250
SPE00100528 0.9417

nonactive | Cluster 13950 | Additional Members: 1 | Rows returned: 0
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