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Compound InformationSONAR Target prediction
Name:

TETRAHYDROCORTISONE

Unique Identifier:SPE01701047
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H32O5
Molecular Weight:333.23 g/mol
X log p:-2.158  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(O)CC1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12
Source:exmicrobial degradation of cortisone
Reference:J Biol Chem 111: 599 (1935); 114: 613 (1936);124: 459 (1938); Z Naturforsch B 18:
284 (1963)

Found: 101 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [101]
Species: 4932
Condition: CLB2
Replicates: 2
Raw OD Value: r im 0.6746±0.0039598
Normalized OD Score: sc h 0.9970±0.00082858
Z-Score: -0.1728±0.0438766
p-Value: 0.862862
Z-Factor: -17.2125
Fitness Defect: 0.1475
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-11-02 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00049
Plate DMSO Control (-):0.661825±0.01288
Plate Z-Factor:0.9281
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DBLink | Rows returned: 102 Next >> 
5866 (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,1
5,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
65554 (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-do
decahydrocyclopenta[a]phenanthrene-3,11-dione
101762 (3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,1
5,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
440054 (5S,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-do
decahydrocyclopenta[a]phenanthrene-3,11-dione
440692 (3R,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-c
yclopenta[a]phenanthren-11-one
618110 3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta
[a]phenanthren-11-one

internal high similarity DBLink | Rows returned: 1
NRB 03728 0.9583

active | Cluster 7027 | Additional Members: 5 | Rows returned: 0

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