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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 11 12 13 14 15 16 17 18 19 20  Next >> [192]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.7725±0.00254558
Normalized OD Score: sc h 1.0259±0.0103971
Z-Score: 1.2643±0.538074
p-Value: 0.238422
Z-Factor: -1.96114
Fitness Defect: 1.4337
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039525000000000005±0.00109
Plate DMSO Control (-):0.740075±0.01290
Plate Z-Factor:0.9421
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DBLink | Rows returned: 40<< Back 1 2 3 4 5 6 7
11944614 [(4aR,6aR,6bR,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1
1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate
11944615 [(4aR,6aS,6bR,8aR,10S,12aS,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1
1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate
11944616 [(4aR,6aS,6bR,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1
1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate
11989947 [(1S,4R,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-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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