Showing entry for Ganoderone A



                             
General Compound Information
BXGC IdBXGC0043841
Compound NameGanoderone A
Structure
FormulaC30H46O3
InchiKeySDAWCNCFVWQZDP-GOUGDUPLSA-N
SMILESOC/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)/C
InchiInChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1
IUPAC(5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Molecular Weight454.34
Pubchem Id11705156
Chembl IdCHEMBL457601
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 98H
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
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed RORC Nuclear receptor - - - -
Binding DB 50104767
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
reviewed BXGT013856 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed HMGCR - >100000 - -
CHEMBL CHEMBL457601
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
P23739 BXGT008901 Sucrase-isomaltase, intestinal reviewed - Si IC50 - - -
Q6P7A9 BXGT016460 Lysosomal alpha-glucosidase reviewed - Gaa IC50 - - -
Q1W675 BXGT013856 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed - HMGCR IC50 '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00199 Gram bean Vigna mungo Pulses
BXGF06127 Juniperus occidentalis Juniperus occidentalis Medicinal Plant
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