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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6799±0.00106066
Normalized OD Score: sc h 0.9777±0.000676262
Z-Score: -1.2112±0.0549999
p-Value: 0.22618
Z-Factor: -4.31098
Fitness Defect: 1.4864
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00052
Plate DMSO Control (-):0.687425±0.02326
Plate Z-Factor:0.8902
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DBLink | Rows returned: 186[1] << Back 31
7195734 3-[(1R,3S)-3-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid
7409538 3-[1-(2-carboxylatoethyl)-2-oxo-cyclohexyl]propanoate
9207794 (5R,7S)-3-acetyladamantane-1-carboxylate
9207795 (5R,7S)-3-acetyladamantane-1-carboxylic acid
15944652 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoate
16061083 2-[(1S,2R)-3-oxo-2-pentyl-cyclopentyl]acetic acid

internal high similarity DBLink | Rows returned: 13<< Back 1 2 3 Next >> 
NRB 02462 0.9583
BTB 15000 0.9583
BTBG 00152 0.9583
BTB 09925 1.0000
CD 11355 1.0000
RH 01730 1.0000

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

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