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Compound InformationSONAR Target prediction
Name:

FUCOSTANOL

Unique Identifier:SPE01504053
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:1.79  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:6
Canonical Smiles:CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:Calendula officinalis
Reference:J Am Chem Soc 60: 2431 (1938)
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 1.0023±0.0046669
Normalized OD Score: sc h 0.9911±0.00151805
Z-Score: 1.0519±0.0310731
p-Value: 0.292974
Z-Factor: -5.00942
Fitness Defect: 1.2277
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|G8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.001025±0.00256
Plate DMSO Control (-):0.9952500000000001±0.02580
Plate Z-Factor:0.9244
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DBLink | Rows returned: 20372 3 4 5 6 7 8 9 10  Next >> [340]
957 octan-1-ol
1107 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
1213 4,8a-dimethyldecalin-4a-ol
1254 5-methyl-2-propan-2-yl-cyclohexan-1-ol
2682 hexadecan-1-ol
3240 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
BTBG 00239 1.0000
JFD 03015 1.0000
JFD 04053 1.0000
LOPAC 00683 1.0000
NRB 01738 1.0000
NRB 01741 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 72 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

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