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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] << Back 431 432 433 434 435 436 437 438 439 440  Next >> [485]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7964±0.00388909
Normalized OD Score: sc h 1.0102±0.0375089
Z-Score: 0.7121±2.2215
p-Value: 0.206448
Z-Factor: -14.2432
Fitness Defect: 1.5777
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.04015±0.00054
Plate DMSO Control (-):0.773725±0.04428
Plate Z-Factor:0.8064
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DBLink | Rows returned: 2821 2 3 4 5 6 7 8 9 10  Next >> [47]
965 octadec-9-enoic acid
4668 hexadec-9-enoic acid
8216 docos-13-enoic acid
10416 7-(2-octyl-1-cyclopropenyl)heptanoic acid
11634 octadec-6-enoic acid
12921 8-(2-octyl-1-cyclopropenyl)octanoic 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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