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Compound InformationSONAR Target prediction
Name:

DIHYDROJASMONIC ACID

Unique Identifier:SPE01504104
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:192.127 g/mol
X log p:-1.077  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:6
Canonical Smiles:CCCCCC1C(CCC1=O)CC(O)=O
Class:alkane
Source:Jasminium spp and Vicia faba
Reference:Helv Chim Acta 57: 1301 (1974); Tet Lett 3413 (1974); JACS 97: 6144 (1975); PNAS 98:
4788 (2001)
Therapeutics:plant growth regulator

Found: 205 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [205]
Species: 4932
Condition: ROT2
Replicates: 2
Raw OD Value: r im 0.8282±0.00551543
Normalized OD Score: sc h 0.9998±0.00552967
Z-Score: -0.0105±0.261269
p-Value: 0.853436
Z-Factor: -29.6474
Fitness Defect: 0.1585
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2006-05-05 YYYY-MM-DD
Plate CH Control (+):0.03825±0.00246
Plate DMSO Control (-):0.814375±0.02354
Plate Z-Factor:0.8994
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DBLink | Rows returned: 186[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [31]
273567 2-(2-acetyl-1-propan-2-yl-cyclopropyl)acetic acid
274428 2-(3-oxocyclopentyl)acetic acid
280190 5-oxooctanoic acid
298881 5-cyclohexyl-5-oxo-pentanoic acid
299970 3-(1-methyl-2-oxo-cyclohexyl)propanoic acid
361339 (2R,4aR)-4a-methyl-8-oxo-decalin-2-carboxylic acid

internal high similarity DBLink | Rows returned: 131 2 3 Next >> 
SPE01500225 0.9130
JFD 01238 0.9130
JFD 01264 0.9167
BTBG 00035 0.9167
LOPAC 00965 0.9167
RJC 03406 0.9583

active | Cluster 11884 | Additional Members: 2 | Rows returned: 1
SPE01504910 0.25531914893617

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