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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.4578±0.0233345
Normalized OD Score: sc h 0.9099±0.0115606
Z-Score: -1.0535±0.308906
p-Value: 0.303548
Z-Factor: -0.717334
Fitness Defect: 1.1922
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00151
Plate DMSO Control (-):0.4498±0.01889
Plate Z-Factor:0.8542
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DBLink | Rows returned: 186[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [31]
3020143 2-[1-ethyl-2-(2-methylpropanoyl)cyclohexyl]acetic acid
3080560 (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3143073 2-(3-oxobutyl)heptanoic acid
3250790 5-oxododecanoic acid
3258066 9-oxobicyclo[3.3.1]nonane-7-carboxylic acid
3512818 9-oxobicyclo[3.3.1]nonane-7-carboxylate

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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