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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 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5285±0.0545179
Normalized OD Score: sc h 0.8927±0.0429548
Z-Score: -2.2233±0.713706
p-Value: 0.0460294
Z-Factor: -0.871559
Fitness Defect: 3.0785
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038599999999999995±0.00238
Plate DMSO Control (-):0.620525±0.01476
Plate Z-Factor:0.9154
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DBLink | Rows returned: 136[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
6161511 hexadecyl (E)-octadec-9-enoate
6174142 dodecyl (E)-octadec-9-enoate
6365981 [(E)-docos-13-enyl] (E)-docos-13-enoate
6366121 octadecyl (E)-docos-13-enoate
6366542 15-methylhexadecyl (E)-docos-13-enoate
6427913 [(3R,5S,10S,13R,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclop
enta[a]phenanthren-3-yl] (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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