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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: 538 nonactive | as graph: single | with analogs [1] << Back 531 532 533 534 535 536 537 538
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9622±0.00106066
Normalized OD Score: sc h 0.9288±0.0103185
Z-Score: -0.8391±0.234836
p-Value: 0.407882
Z-Factor: -1.10702
Fitness Defect: 0.8968
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:14|G8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0026249999999999997±0.00328
Plate DMSO Control (-):1.0022±0.03824
Plate Z-Factor:0.8837
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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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