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Compound InformationSONAR Target prediction
Name:

BISABOLOL ACETATE

Unique Identifier:SPE00307058
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:236.181 g/mol
X log p:4.408  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:CC(=O)OC(C)(CCC=C(C)C)C1CCC(C)=CC1
Class:sesquiterpene
Source:derivative

Found: 192 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [192]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.6824±0.0072832
Normalized OD Score: sc h 1.0243±0.00152596
Z-Score: 0.9079±0.0454275
p-Value: 0.364164
Z-Factor: -1.09542
Fitness Defect: 1.0102
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2006-04-12 YYYY-MM-DD
Plate CH Control (+):0.0392±0.00151
Plate DMSO Control (-):0.660325±0.01021
Plate Z-Factor:0.9371
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DBLink | Rows returned: 40<< Back 1 2 3 4 5 6 7 Next >> 
605157 (10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-4a
-yl)methyl acetate
2775620 7-bicyclo[2.2.2]oct-2-enylmethyl acetate
3022557 (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl acetate
3022558 (5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)methyl acetate
3725516 (3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
6427497 [(2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-yl] acetate

internal high similarity DBLink | Rows returned: 2
SPE00100552 0.9123
SPE00100583 0.9298

active | Cluster 11864 | Additional Members: 1 | Rows returned: 0

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