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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 91 92 93 94 95 96 97 Next >> [97]
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4416±0.00162635
Normalized OD Score: sc h 0.8265±0.00379839
Z-Score: -4.8557±0.113127
p-Value: 0.00000129499
Z-Factor: 0.337704
Fitness Defect: 13.557
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00085
Plate DMSO Control (-):0.52835±0.01786
Plate Z-Factor:0.9244
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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

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