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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 21 22 23 24 25 26 27 28 29 30  Next >> [48]
Species: 4932
Condition: FUR4
Replicates: 2
Raw OD Value: r im 0.0839±0.00905097
Normalized OD Score: sc h 0.1858±0.0118748
Z-Score: -21.5180±3.53305
p-Value: 0
Z-Factor: 0.8631
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.038925±0.00118
Plate DMSO Control (-):0.4647±0.01189
Plate Z-Factor:0.9306
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DBLink | Rows returned: 282[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [47]
346770 n/a
441446 13-[(1S)-1-cyclopent-2-enyl]tridecanoic acid
445586 (8E,14E)-icosa-8,14-dienoic acid
445589 9-[(1R,6S)-1,3-dimethyl-2-bicyclo[4.1.0]hept-2-enyl]-3,7-dimethyl-nonanoic acid
445638 (E)-hexadec-9-enoic acid
445639 (E)-octadec-9-enoic acid

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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