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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 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: RIC1
Replicates: 2
Raw OD Value: r im 0.5859±0.0264458
Normalized OD Score: sc h 0.9688±0.00544658
Z-Score: -0.6745±0.016776
p-Value: 0.500044
Z-Factor: -2.24445
Fitness Defect: 0.6931
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-18 YYYY-MM-DD
Plate CH Control (+):0.038525±0.00145
Plate DMSO Control (-):0.59775±0.01404
Plate Z-Factor:0.9180
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DBLink | Rows returned: 136[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
543844 octadec-9-enyl octadec-9-enoate
545773 icosyl hexadec-9-enoate
636841 [(3S,4aS,6aR,6bS,8aS,12aR,14aS,14bS)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14
a-tetradecahydropicen-3-yl] hexadecanoate
3591866 1-oxacycloheptadec-7-en-2-one
4129360 dodecyl hexadec-9-enoate
4193513 henicosyl 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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