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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 21 22 23 24 25 26 27 28 29 30  Next >> [167]
Species: 4932
Condition: GBP2
Replicates: 2
Raw OD Value: r im 0.7145±0.00827315
Normalized OD Score: sc h 0.9921±0.0042973
Z-Score: -0.3544±0.193963
p-Value: 0.725556
Z-Factor: -56.5787
Fitness Defect: 0.3208
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-03-26 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00051
Plate DMSO Control (-):0.6948749999999999±0.01939
Plate Z-Factor:0.9113
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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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