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Compound InformationSONAR Target prediction
Name:

ERGOSTEROL

Unique Identifier:SPE00200743
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:9.518  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:yeast
Reference:J Biol Chem 80: 15 (1928)
Generic_name:ERGOSTEROL
Chemical_iupac_name:ERGOSTEROL
Drug_type:Experimental
Kegg_compound_id:C01694
Drugbank_id:EXPT01357
Logp:6.804
Cas_registry_number:57-87-4
Drug_category:Beta-Cryptogein inhibitor
Organisms_affected:-1

Found: 23 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.6521±0.0572756
Normalized OD Score: sc h 0.8438±0.0628852
Z-Score: -7.6206±3.25376
p-Value: 0.000000051922
Z-Factor: -0.525379
Fitness Defect: 16.7735
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00110
Plate DMSO Control (-):0.753625±0.01133
Plate Z-Factor:0.9412
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DBLink | Rows returned: 34<< Back 1 2 3 4 5 6 Next >> 
6440961 (3S,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-deca
hydro-1H-cyclopenta[a]phenanthren-3-ol
6475768 (3S,9R,10R,13S,14R,17R)-17-[(E,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-
decahydro-1H-cyclopenta[a]phenanthren-3-ol
6567573 (3S,9R,10S,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
6713013 (9S,10R,13R,14S,17R)-17-[(2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-de
cahydro-1H-cyclopenta[a]phenanthren-3-ol
6713713 (9R,10R,13R,14S,17S)-17-[(2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-de
cahydro-1H-cyclopenta[a]phenanthren-3-ol
7067891 (3S,9S,10R,13S,14R,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 1
SPE01500276 0.9020

active | Cluster 5085 | Additional Members: 3 | Rows returned: 0

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