Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 201 202 203 204 205
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9552±0.0122329
Normalized OD Score: sc h 0.9667±0.00148916
Z-Score: 0.3078±0.0855591
p-Value: 0.758698
Z-Factor: -1.02769
Fitness Defect: 0.2762
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|B2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):-0.00012500000000000006±0.00279
Plate DMSO Control (-):0.997225±0.02285
Plate Z-Factor:0.9176
png
ps
pdf

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: 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

Service provided by the Mike Tyers Laboratory