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Compound InformationSONAR Target prediction
Name:

CLOVANEDIOL DIACETATE

Unique Identifier:SPE00300133
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:292.201 g/mol
X log p:-0.016  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OC1CCC23CC1(C)CCC2C(C)(C)CC3OC(C)=O
Class:sesquiterpene
Source:derivative Dipterocarpus pilosus, Salvia canariensis, Viguiera oaxacana, Sindora
sumatrana
Reference:Chem Pharm Bull 42: 138 (1994)

Found: 5 active | as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.2430±0.00459619
Normalized OD Score: sc h 0.5283±0.000463641
Z-Score: -7.6185±0.314387
p-Value: 0.000000000000072333
Z-Factor: 0.748416
Fitness Defect: 30.2575
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00185
Plate DMSO Control (-):0.433±0.01661
Plate Z-Factor:0.8650
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DBLink | Rows returned: 44<< Back 1 2 3 4 5 6 7 8 Next >> 
6577148 n/a
6927322 [(1R,4R,5S,8S)-8-acetyloxy-4-bicyclo[3.3.1]nonyl] acetate
7116222 [(1S,4R,5R,8R)-8-acetyloxy-4-bicyclo[3.3.1]nonyl] acetate
9499155 n/a
9499156 n/a
9499157 n/a

internal high similarity DBLink | Rows returned: 6
JFD 03696 0.9143
NRB 01908 0.9143
NRB 03747 0.9143
SPE00300052 0.9143
NRB 03694 0.9697
SPE00310015 0.9697

active | Cluster 4651 | Additional Members: 2 | Rows returned: 0
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