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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 61 62 63 64 65 66 67 68 69 70  Next >> [101]
Species: 4932
Condition: PPH21
Replicates: 2
Raw OD Value: r im 0.8073±0.0118087
Normalized OD Score: sc h 0.9995±0.00354354
Z-Score: -0.0183±0.126927
p-Value: 0.928496
Z-Factor: -13.3598
Fitness Defect: 0.0742
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-05-16 YYYY-MM-DD
Plate CH Control (+):0.038775000000000004±0.00194
Plate DMSO Control (-):0.801725±0.01703
Plate Z-Factor:0.9148
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DBLink | Rows returned: 136[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
6436475 [(E)-octadec-9-enyl] (E)-docos-13-enoate
6436485 docosyl (E)-docos-13-enoate
6436499 [(E)-octadec-9-enyl] dodecanoate
6436500 [(E)-octadec-9-enyl] octanoate
6436513 butyl (E)-docos-13-enoate
6436515 hexyl (E)-docos-13-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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