Showing entry for (2R,3R)-2-(2,4-Dihydroxy-Phenyl)-3,7-Dihydroxy-8-(5-Hydroxy-2-Isopropenyl-5-Methyl-Hexyl)-5-Methoxy-Chroman-4-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0026947
Compound Name(2R,3R)-2-(2,4-Dihydroxy-Phenyl)-3,7-Dihydroxy-8-(5-Hydroxy-2-Isopropenyl-5-Methyl-Hexyl)-5-Methoxy-Chroman-4-One
Structure
FormulaC26H32O8
InchiKeyYWHHRFNOJTVNBI-SBCNVUAESA-N
SMILESCOc1cc(O)c(c2c1C(=O)[C@H](O)[C@H](O2)c1ccc(cc1O)O)CC(C(=C)C)CCC(O)(C)C
InchiInChI=1S/C26H32O8/c1-13(2)14(8-9-26(3,4)32)10-17-19(29)12-20(33-5)21-22(30)23(31)25(34-24(17)21)16-7-6-15(27)11-18(16)28/h6-7,11-12,14,23,25,27-29,31-32H,1,8-10H2,2-5H3/t14?,23-,25+/m0/s1
IUPAC(2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-5-methoxy-2,3-dihydrochromen-4-one
Molecular Weight472.21
Pubchem Id10254216
Chembl IdCHEMBL77703
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 50116713
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 BXGT008035 cAMP-specific 3',5'-cyclic phosphodiesterase 4B reviewed Pde4b - 18710 - -
reviewed BXGT004730 cGMP-specific 3',5'-cyclic phosphodiesterase reviewed Pde5a - 4750 - -
CHEMBL CHEMBL77703
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
P54748 BXGT011071 cAMP-specific 3',5'-cyclic phosphodiesterase 4A reviewed - Pde4a IC50 '=' 18710 nM
P14644 BXGT008034 cAMP-specific 3',5'-cyclic phosphodiesterase 4C reviewed - Pde4c IC50 '=' 18710 nM
P14646 BXGT008035 cAMP-specific 3',5'-cyclic phosphodiesterase 4B reviewed - Pde4b IC50 '=' 18710 nM
P14270 BXGT008000 cAMP-specific 3',5'-cyclic phosphodiesterase 4D reviewed - Pde4d IC50 '=' 18710 nM
O54735 BXGT004730 cGMP-specific 3',5'-cyclic phosphodiesterase reviewed - Pde5a IC50 '=' 4750 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02852 Sophora flavescens Sophora flavescens 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