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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 21 22 23 24 25 26 27 28 29 30  Next >> [42]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6386±0.0494975
Normalized OD Score: sc h 0.6964±0.093513
Z-Score: -8.9073±2.60836
p-Value: 0.000000000000815464
Z-Factor: -0.328193
Fitness Defect: 27.835
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041725±0.00219
Plate DMSO Control (-):0.642825±0.01102
Plate Z-Factor:0.9120
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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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