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Compound InformationSONAR Target prediction
Name:

AMBRETTOLIDE

Unique Identifier:SPE00310003
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H28O2
Molecular Weight:224.17 g/mol
X log p:4.152  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:O=C1CCCCCC=CCCCCCCCCO1
Source:ex Abelmoschus moschatus and bees
Reference:Food Cosmet Toxicol 13: 707 (1975)

Found: 101 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7054±0.00770746
Normalized OD Score: sc h 0.9946±0.000208014
Z-Score: -0.2889±0.00225394
p-Value: 0.772696
Z-Factor: -12.6753
Fitness Defect: 0.2579
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.040375±0.00140
Plate DMSO Control (-):0.6989500000000001±0.01328
Plate Z-Factor:0.9357
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DBLink | Rows returned: 136[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
6436729 octyl (E)-octadec-9-enoate
6436737 8-methylnonyl (E)-octadec-9-enoate
6436876 3-methylbutyl (E)-octadec-9-enoate
6437101 [(E)-octadec-9-enyl] docosanoate
6437195 [(E)-octadec-9-enyl] 16-methylheptadecanoate
6437438 (8,11-diethyl-3,10,13,17-tetramethyl-5-propan-2-yl-tricosyl) (E)-octadec-9-enoate

internal high similarity DBLink | Rows returned: 5
SPE00100552 0.9123
SPE00102058 0.9180
NRB 03689 0.9194
SPE00300034 0.9194
SPE00310017 0.9474

active | Cluster 983 | Additional Members: 1 | Rows returned: 0
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