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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: KGD1
Replicates: 2
Raw OD Value: r im 0.7026±0.00296985
Normalized OD Score: sc h 0.9845±0.0030226
Z-Score: -0.9098±0.190847
p-Value: 0.367296
Z-Factor: -6.63921
Fitness Defect: 1.0016
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-09-11 YYYY-MM-DD
Plate CH Control (+):0.041400000000000006±0.00045
Plate DMSO Control (-):0.699975±0.02144
Plate Z-Factor:0.9221
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DBLink | Rows returned: 136[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
5462694 pentyl (E)-octadec-9-enoate
5462825 butyl (E)-octadec-9-enoate
5476936 hexadecyl (E)-tetradec-9-enoate
5744242 2-ethylhexyl (E)-docos-13-enoate
5744352 16-methylheptadecyl (E)-docos-13-enoate
5869600 (7E)-1-oxacycloheptadec-7-en-2-one

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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