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Compound InformationSONAR Target prediction
Name:

CHAULMOOGRIC ACID

Unique Identifier:SPE00310016
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H32O2
Molecular Weight:248.191 g/mol
X log p:3.579  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:13
Canonical Smiles:OC(=O)CCCCCCCCCCCCC1CCC=C1
Source:ex oils of Hydnocarpus and Oncola spp
Reference:J Chromatography 39: 182 (1969)
Generic_name:OLEIC ACID
Chemical_iupac_name:OLEIC ACID
Drug_type:Experimental
Kegg_compound_id:C00712
Drugbank_id:EXPT02430
Logp:6.036
Cas_registry_number:112-80-1
Drug_category:Serum Albumin inhibitor
Organisms_affected:-1

Found: 485 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [485]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.5012±0
Normalized OD Score: sc h 0.7874±0
Z-Score: -1.9079±0
p-Value: 0.0563994
Z-Factor: 0.586115
Fitness Defect: 2.8753
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04505±0.00203
Plate DMSO Control (-):0.66205±0.01907
Plate Z-Factor:0.8970
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
5460988 (E)-icos-9-enoic acid
5460989 (E)-icos-9-enoate
5460999 (E)-docos-13-enoate
5461001 (E)-tetracos-15-enoate
5461008 (E)-octadec-6-enoate
5461010 (E)-octadec-6-enoate

internal high similarity DBLink | Rows returned: 5
SPE00100550 0.9091
SPE01800031 0.9091
BTBG 00247 0.9524
LOPAC 01105 1.0000
SPE01500856 1.0000

active | Cluster 3231 | Additional Members: 3 | Rows returned: 1
SPE00310017 0

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