Showing entry for Irilone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005745
Compound NameIrilone
Structure
FormulaC16H10O6
InchiKeyNUGRQNBDTZWXTP-UHFFFAOYSA-N
SMILESOC1=CC=C(C=C1)C1=COC2=CC3=C(OCO3)C(O)=C2C1=O
InchiInChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2
IUPAC9-hydroxy-7-(4-hydroxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one
Molecular Weight298.25
Pubchem Id5281779
Chembl IdCHEMBL3527329
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 50088502
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 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed UGT1A7 101000 - - -
reviewed BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed UGT1A9 534000 - - -
reviewed BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed UGT1A1 8500 - - -
reviewed BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed UGT1A8 22600 - - -
reviewed BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed UGT1A1 14100 - - -
reviewed BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed UGT1A8 23400 - - -
reviewed BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed UGT1A10 121300 - - -
CHEMBL CHEMBL3527329
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
Q9HAW7 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed - UGT1A7 CL '=' 3900 mL.min-1.g-1
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Vmax '=' 0 nmol/mg/min
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Vmax '=' 1 nmol/mg/min
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Ki '=' 8500 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 CL '=' 99900 mL.min-1.g-1
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Vmax '=' 1 nmol/mg/min
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 CL '=' 53300 mL.min-1.g-1
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Ki '=' 22600 nM
Q9HAW7 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed - UGT1A7 Ki '=' 101000 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 CL '=' 27200 mL.min-1.g-1
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Drug metabolism - - -
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Drug metabolism - - -
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Km '=' 70900 nM
Q9HAW7 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed - UGT1A7 Vmax '=' 0 nmol/mg/min
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Vmax - - -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Drug metabolism - - -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Ki '=' 14100 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Km '=' 24600 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Drug metabolism - - -
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Vmax '=' 0 nmol/mg/min
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Ki '=' 534000 nM
Q9HAW7 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed - UGT1A7 Drug metabolism - - -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Vmax '=' 0 nmol/mg/min
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Km '=' 10300 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Km '=' 32900 nM
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR Activity '=' 151 %
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Vmax '=' 0 nmol/mg/min
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Ki '=' 23400 nM
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Km '=' 5000 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Km '=' 87500 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Ki '=' 121300 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Km - - -
Q9HAW7 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed - UGT1A7 Km '=' 9400 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Ki - - -
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR FC '=' 48 -
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 CL '=' 20200 mL.min-1.g-1
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Drug metabolism - - -
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR Activity '=' 138 %
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00186 Fenugreek Trigonella foenum-graecum Herbs and Spices
BXGF00818 Herbs and Spices Herbs and Spices
BXGF01837 Iris tectorum Iris tectorum Medicinal Plant
BXGF03397 Trifolium pratense Trifolium pratense Medicinal Plant
BXGF05857 Iris domestica Iris domestica 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