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Compound InformationSONAR Target prediction
Name:

PIPERINE

Unique Identifier:SPE01500873
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:266.187 g/mol
X log p:14.992  (online calculus)
Lipinksi Failures1
TPSA38.77
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:O=C(C=CC=Cc1ccc2OCOc2c1)N1CCCCC1
Class:alkaloid
Source:black pepper (Piper nigrum L.)
Reference:Tet Lett 1979: 1043
Therapeutics:analeptic, antibacterial

Found: 42 active | as graph: single | with analogs [1] << Back 41 42
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.3152±0.00268701
Normalized OD Score: sc h 0.7103±0.0147215
Z-Score: -8.1022±0.400585
p-Value: 0.00000000000000268956
Z-Factor: 0.371392
Fitness Defect: 33.5494
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.041275000000000006±0.00181
Plate DMSO Control (-):0.37815±0.01940
Plate Z-Factor:0.8887
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DBLink | Rows returned: 4
4840 5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one
638024 (2E,4E)-5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one
1548912 (2E,4E)-5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one
1548913 (2E,4E)-5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one

internal high similarity DBLink | Rows returned: 1
NRB 01456 1.0000

nonactive | Cluster 14706 | Additional Members: 7 | Rows returned: 1
LAT002C09 0

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