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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 61 62 63 64 65 66 67 68 69 70  Next >> [97]
Species: 4932
Condition: SEC22
Replicates: 2
Raw OD Value: r im 0.4881±0.000353553
Normalized OD Score: sc h 0.8155±0.0057081
Z-Score: -6.4028±0.10333
p-Value: 0.0000000001699
Z-Factor: -2.66299
Fitness Defect: 22.4958
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2007-10-16 YYYY-MM-DD
Plate CH Control (+):0.04±0.00042
Plate DMSO Control (-):0.599±0.10539
Plate Z-Factor:0.4099
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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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