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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: 48 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [48]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.1255±0
Normalized OD Score: sc h 0.4015±0
Z-Score: -13.0208±0
p-Value: 9.31426e-39
Z-Factor: 0.831569
Fitness Defect: 87.5693
Bioactivity Statement: Active
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 (+):0.04±0.00200
Plate DMSO Control (-):0.31255±0.01038
Plate Z-Factor:0.8624
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DBLink | Rows returned: 282[1] << Back 41 42 43 44 45 46 47 Next >> [47]
6451818 (E)-octadec-9-enoate; zirconium(+4) cation
6451988 (8S,9S,10R,13R,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant
hrene-17-carboxylic acid
6453742 (E)-octadec-9-enoate; strontium(+2) cation
6454955 3-(4-methyl-1-cyclohex-3-enyl)butanoic acid
6455512 (E)-hexadec-9-enoate; zinc(+2) cation
6455513 barium(+2) cation; (E)-hexadec-9-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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