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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 471 472 473 474 475 476 477 478 479 480  Next >> [485]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9530±0
Normalized OD Score: sc h 0.9805±0
Z-Score: -0.4475±0
p-Value: 0.654532
Z-Factor: -6.05992
Fitness Defect: 0.4238
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:17|F5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.1085±0.00922
Plate DMSO Control (-):0.9815±0.02592
Plate Z-Factor:0.8793
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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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