Showing entry for Helenine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0023236
Compound NameHelenine
Structure
FormulaC15H20O2
InchiKeyPXOYOCNNSUAQNS-AGNJHWRGSA-N
SMILESC[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C
InchiInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
IUPAC(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Molecular Weight232.15
Pubchem Id72724
Chembl IdCHEMBL136356
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 50096873
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 BXGT020625 UDP-N-acetylglucosamine 1-carboxyvinyltransferase reviewed murA - >50000 - -
reviewed BXGT007092 UDP-N-acetylglucosamine 1-carboxyvinyltransferase reviewed murA - >50000 - -
reviewed BXGT005729 Transcriptional activator Myb reviewed MYB - 23659 - -
reviewed BXGT005729 Transcriptional activator Myb reviewed MYB - 23640 - -
CHEMBL CHEMBL136356
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
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 115 %
P53778 BXGT011013 Mitogen-activated protein kinase 12 reviewed Kinase MAPK12 Inhibition '=' 25 %
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Inhibition '=' 25 %
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Inhibition '=' 25 %
O15264 BXGT004144 Mitogen-activated protein kinase 13 reviewed Kinase MAPK13 Inhibition '=' 25 %
P29597 BXGT009367 Non-receptor tyrosine-protein kinase TYK2 reviewed Kinase TYK2 Inhibition '=' 25 %
O60674 BXGT004892 Tyrosine-protein kinase JAK2 reviewed Kinase JAK2 Inhibition '=' 25 %
P23458 BXGT008868 Tyrosine-protein kinase JAK1 reviewed Kinase JAK1 Inhibition '=' 25 %
P52333 BXGT010928 Tyrosine-protein kinase JAK3 reviewed Kinase JAK3 Inhibition '=' 25 %
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 40 %
Q9HVW7 BXGT020625 UDP-N-acetylglucosamine 1-carboxyvinyltransferase reviewed - murA IC50 '>' 50000 nM
P0A749 BXGT007092 UDP-N-acetylglucosamine 1-carboxyvinyltransferase reviewed - murA Activity - - -
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 47 %
P01103 BXGT005729 Transcriptional activator Myb reviewed - MYB IC50 '=' 23659 nM
P0A749 BXGT007092 UDP-N-acetylglucosamine 1-carboxyvinyltransferase reviewed - murA IC50 '>' 50000 nM
P01103 BXGT005729 Transcriptional activator Myb reviewed - MYB IC50 '=' 23640 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 115 %
Q8BUN5 BXGT026119 Mothers against decapentaplegic homolog 3 reviewed - Smad3 Inhibition '=' -27 %
P04202 BXGT026120 Transforming growth factor beta-1 proprotein reviewed - Tgfb1 Inhibition '=' -27 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02542 Inula helenium Inula helenium Medicinal Plant
BXGF03078 Chrysanthemum x morifolium Chrysanthemum x morifolium Medicinal Plant
BXGF04109 Saussurea costus Saussurea costus 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