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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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.8465±0.00155563
Normalized OD Score: sc h 1.0049±0.00100476
Z-Score: 0.2448±0.0531195
p-Value: 0.806764
Z-Factor: -15.6713
Fitness Defect: 0.2147
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-03-03 YYYY-MM-DD
Plate CH Control (+):0.038425±0.00132
Plate DMSO Control (-):0.8124250000000001±0.01189
Plate Z-Factor:0.9663
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DBLink | Rows returned: 186[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [31]
7056721 2-methyl-2-[(1S,2R)-2-propanoylcyclohexyl]propanoic acid
7056722 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoate
7056723 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoic acid
7082016 n/a
7082017 n/a
7082018 n/a

internal high similarity DBLink | Rows returned: 132 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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