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Compound InformationSONAR Target prediction
Name:

AVOCADENE

Unique Identifier:SPE00240932
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:252.18 g/mol
X log p:0.612  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:15
Canonical Smiles:OCC(O)CC(O)CCCCCCCCCCCC=C
Class:lipid
Source:Persia americana; avocado seeds
Reference:Ann Acad Brasil Cienc 42 (suplemento): 45 (1970); Tetrahedron 25: 4617 (1969);
Phytochemistry 10: 1417 (1971); 31: 93 (1992)
Therapeutics:antifungal

Found: 167 nonactive | as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [167]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7338±0.00827315
Normalized OD Score: sc h 0.9439±0.0111662
Z-Score: -2.0687±0.337855
p-Value: 0.0441534
Z-Factor: -0.887245
Fitness Defect: 3.1201
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.0378±0.00181
Plate DMSO Control (-):0.76635±0.01488
Plate Z-Factor:0.9245
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DBLink | Rows returned: 1
158573 heptadec-16-ene-1,2,4-triol

internal high similarity DBLink | Rows returned: 0

active | Cluster 289 | Additional Members: 6 | Rows returned: 5
LAT001B04 0.439024390243902
SPE01505234 0.439024390243902
LAT001F03 0.416666666666667
SPE00210025 0.416666666666667
SPE00211552 0

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