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Compound InformationSONAR Target prediction
Name:

beta-CARYOPHYLLENE ALCOHOL

Unique Identifier:SPE00300105
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:196.16 g/mol
X log p:-0.484  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1(C)CC2C1CCC1(C)CCCC2(O)C1
Class:sesquiterpene
Source:palmarosa oil, Cymbopogon martini
Reference:Aust J Chem 41: 1755 (1988)
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 8 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 Next >> 
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.5719±0.0195869
Normalized OD Score: sc h 0.8589±0.0191497
Z-Score: -6.9208±0.499222
p-Value: 0.0000000000257106
Z-Factor: 0.240795
Fitness Defect: 24.3841
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00045
Plate DMSO Control (-):0.660625±0.01078
Plate Z-Factor:0.9479
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
15973379 n/a
15973380 n/a
15974288 n/a
15975240 magnesium 2-ethylhexan-1-ol dichloride
15975918 magnesium 2-ethylhexan-1-olate
15976914 magnesium (1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-olate chloride

internal high similarity DBLink | Rows returned: 381 2 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

active | Cluster 8273 | Additional Members: 1 | Rows returned: 0
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