Showing entry for Desmosterol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029253
Compound NameDesmosterol
Structure
FormulaC27H44O
InchiKeyAVSXSVCZWQODGV-DPAQBDIFSA-N
SMILESO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C1)C
InchiInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
IUPAC(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight384.34
Pubchem Id439577
Chembl IdCHEMBL455876
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL455876
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P9WPP1 BXGT012466 Steroid C26-monooxygenase reviewed - cyp125 Activity '=' 47 %
Q13133 BXGT013315 Oxysterols receptor LXR-alpha reviewed Nuclear receptor NR1H3 Activity - - -
P9WPP1 BXGT012466 Steroid C26-monooxygenase reviewed - cyp125 Activity - - -
P55055 BXGT011101 Oxysterols receptor LXR-beta reviewed Nuclear receptor NR1H2 Activity - - -
P9WPP1 BXGT012466 Steroid C26-monooxygenase reviewed - cyp125 Kcat(app) '=' 13 /min
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC EC50 '=' 80 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01104 Garcinia cambogia Garcinia cambogia Medicinal Plant
BXGF01252 Petasites laevigatus Petasites laevigatus Medicinal Plant
BXGF01404 Sphaeranthus confertifolius Sphaeranthus confertifolius Others
BXGF01556 Ornithoglossum viride Ornithoglossum viride Others
BXGF01606 Schizanthus tricolor Schizanthus tricolor Others
BXGF01631 Anodendron affine Anodendron affine Medicinal Plant
BXGF01669 Hertia cheirifolia Hertia cheirifolia Others
BXGF01720 Cedrela salvadorensis Cedrela salvadorensis Others
BXGF05436 Rubia tetragona Rubia tetragona Others
BXGF05858 Ormosia hosiei Ormosia hosiei Medicinal Plant
BXGF06250 Licaria chrysophylla Licaria chrysophylla Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease