Showing entry for (-)-Arctigenin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000933
Compound Name(-)-Arctigenin
Structure
FormulaC21H24O6
InchiKeyNQWVSMVXKMHKTF-JKSUJKDBSA-N
SMILESCOC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O)C(OC)=C2)C=C1OC
InchiInChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
IUPAC(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Molecular Weight372.41
Pubchem Id64981
Chembl IdCHEMBL435734
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 50375656
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 BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 - 1 - -
CHEMBL CHEMBL435734
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
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 1122 nM
P23458 BXGT008868 Tyrosine-protein kinase JAK1 reviewed Kinase JAK1 Thermal melting change '=' 0 degrees C
Q00536 BXGT012535 Cyclin-dependent kinase 16 reviewed Kinase CDK16 Thermal melting change '=' 0 degrees C
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 15848 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 12589 nM
Q9P286 BXGT021299 Serine/threonine-protein kinase PAK 5 reviewed Kinase PAK5 Thermal melting change '=' 0 degrees C
P17612 BXGT008322 cAMP-dependent protein kinase catalytic subunit alpha reviewed Kinase PRKACA Thermal melting change '=' 0 degrees C
P51812 BXGT010893 Ribosomal protein S6 kinase alpha-3 reviewed Kinase RPS6KA3 Thermal melting change '=' 0 degrees C
P51812 BXGT010893 Ribosomal protein S6 kinase alpha-3 reviewed Kinase RPS6KA3 Thermal melting change '=' 0 degrees C
Q7ZJM1 BXGT017268 Integrase unreviewed - pol Inhibition '<' 5 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 2 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 2 nM
Q02750 BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 IC50 '=' 1 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition - - -
P52564 BXGT010932 Dual specificity mitogen-activated protein kinase kinase 6 reviewed Kinase MAP2K6 Thermal melting change '=' 0 degrees C
Q99683 BXGT019947 Mitogen-activated protein kinase kinase kinase 5 reviewed Kinase MAP3K5 Thermal melting change '=' 0 degrees C
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 6309 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 31622 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
Q9BVS4 BXGT020147 Serine/threonine-protein kinase RIO2 reviewed Kinase RIOK2 Thermal melting change '=' 0 degrees C
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 15848 nM
Q9UEE5 BXGT021671 Serine/threonine-protein kinase 17A reviewed Kinase STK17A Thermal melting change '=' 1 degrees C
Q96KB5 BXGT019685 Lymphokine-activated killer T-cell-originated protein kinase reviewed Kinase PBK Thermal melting change '=' 0 degrees C
P54646 BXGT011062 5'-AMP-activated protein kinase catalytic subunit alpha-2 reviewed Kinase PRKAA2 Thermal melting change '=' 0 degrees C
Q16566 BXGT013639 Calcium/calmodulin-dependent protein kinase type IV reviewed Kinase CAMK4 Thermal melting change '=' 0 degrees C
P49759 BXGT010734 Dual specificity protein kinase CLK1 reviewed Kinase CLK1 Thermal melting change '=' -1 degrees C
O43293 BXGT004584 Death-associated protein kinase 3 reviewed Kinase DAPK3 Thermal melting change '=' 0 degrees C
P36507 BXGT009923 Dual specificity mitogen-activated protein kinase kinase 2 reviewed Kinase MAP2K2 Thermal melting change '=' 0 degrees C
O95747 BXGT005393 Serine/threonine-protein kinase OSR1 reviewed Kinase OXSR1 Thermal melting change '=' 0 degrees C
O96013 BXGT005414 Serine/threonine-protein kinase PAK 4 reviewed Kinase PAK4 Thermal melting change '=' 0 degrees C
O15530 BXGT004177 3-phosphoinositide-dependent protein kinase 1 reviewed Kinase PDPK1 Thermal melting change '=' 0 degrees C
Q13555 BXGT013375 Calcium/calmodulin-dependent protein kinase type II subunit gamma reviewed Kinase CAMK2G Thermal melting change '=' 0 degrees C
Q9NQU5 BXGT021169 Serine/threonine-protein kinase PAK 6 reviewed - PAK6 Thermal melting change '=' 0 degrees C
O00444 BXGT003921 Serine/threonine-protein kinase PLK4 reviewed Kinase PLK4 Thermal melting change '=' 0 degrees C
Q8IV63 BXGT018341 Inactive serine/threonine-protein kinase VRK3 reviewed Kinase VRK3 Thermal melting change '=' 0 degrees C
Q13043 BXGT013307 Serine/threonine-protein kinase 4 reviewed Kinase STK4 Thermal melting change '=' 0 degrees C
Q9UKE5 BXGT021741 TRAF2 and NCK-interacting protein kinase reviewed Kinase TNIK Thermal melting change '=' 0 degrees C
Q8IU85 BXGT018333 Calcium/calmodulin-dependent protein kinase type 1D reviewed Kinase CAMK1D Thermal melting change '=' 0 degrees C
Q86Y07 BXGT017631 Serine/threonine-protein kinase VRK2 reviewed Kinase VRK2 Thermal melting change '=' 0 degrees C
O75716 BXGT005147 Serine/threonine-protein kinase 16 reviewed Kinase STK16 Thermal melting change '=' 0 degrees C
O96017 BXGT005415 Serine/threonine-protein kinase Chk2 reviewed Kinase CHEK2 Thermal melting change '=' 0 degrees C
Q9P289 BXGT021300 Serine/threonine-protein kinase 26 reviewed Kinase STK26 Thermal melting change '=' 0 degrees C
Q86V86 BXGT017617 Serine/threonine-protein kinase pim-3 reviewed - PIM3 Thermal melting change '=' 0 degrees C
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1678 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 44 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 15848 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Thermal melting change '=' 0 degrees C
Q9H2G2 BXGT020452 STE20-like serine/threonine-protein kinase reviewed Kinase SLK Thermal melting change '=' 0 degrees C
Q15208 BXGT013550 Serine/threonine-protein kinase 38 reviewed Kinase STK38 Thermal melting change '=' 0 degrees C
Q9HC98 BXGT020528 Serine/threonine-protein kinase Nek6 reviewed Kinase NEK6 Thermal melting change '=' 0 degrees C
Q99986 BXGT019980 Serine/threonine-protein kinase VRK1 reviewed Kinase VRK1 Thermal melting change '=' 0 degrees C
Q00534 BXGT012533 Cyclin-dependent kinase 6 reviewed Kinase CDK6 Thermal melting change '=' 0 degrees C
Q00532 BXGT012532 Cyclin-dependent kinase-like 1 reviewed Kinase CDKL1 Thermal melting change '=' 0 degrees C
P49760 BXGT010735 Dual specificity protein kinase CLK2 reviewed Kinase CLK2 Thermal melting change '=' 0 degrees C
P49761 BXGT010736 Dual specificity protein kinase CLK3 reviewed Kinase CLK3 Thermal melting change '=' 0 degrees C
Q9HCP0 BXGT020536 Casein kinase I isoform gamma-1 reviewed Kinase CSNK1G1 Thermal melting change '=' 0 degrees C
Q09013 BXGT013023 Myotonin-protein kinase reviewed Kinase DMPK Thermal melting change '=' 1 degrees C
Q96NX5 BXGT019702 Calcium/calmodulin-dependent protein kinase type 1G reviewed Kinase CAMK1G Thermal melting change '=' 0 degrees C
Q9UQM7 BXGT021814 Calcium/calmodulin-dependent protein kinase type II subunit alpha reviewed Kinase CAMK2A Thermal melting change '=' 0 degrees C
Q96RR4 BXGT019734 Calcium/calmodulin-dependent protein kinase kinase 2 reviewed Kinase CAMKK2 Thermal melting change '=' 0 degrees C
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B Thermal melting change '=' 0 degrees C
O00506 BXGT003932 Serine/threonine-protein kinase 25 reviewed Kinase STK25 Thermal melting change '=' 0 degrees C
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Thermal melting change '=' 0 degrees C
Q16659 BXGT013652 Mitogen-activated protein kinase 6 reviewed Kinase MAPK6 Thermal melting change '=' 0 degrees C
P11309 BXGT007685 Serine/threonine-protein kinase pim-1 reviewed Kinase PIM1 Thermal melting change '=' 0 degrees C
Q13554 BXGT013374 Calcium/calmodulin-dependent protein kinase type II subunit beta reviewed Kinase CAMK2B Thermal melting change '=' 0 degrees C
Q9P1W9 BXGT021296 Serine/threonine-protein kinase pim-2 reviewed Kinase PIM2 Thermal melting change '=' 0 degrees C
O94804 BXGT005334 Serine/threonine-protein kinase 10 reviewed Kinase STK10 Thermal melting change '=' 0 degrees C
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2371 nM
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Thermal melting change '=' 0 degrees C
P51955 BXGT010908 Serine/threonine-protein kinase Nek2 reviewed Kinase NEK2 Thermal melting change '=' 1 degrees C
Q9P289 BXGT021300 Serine/threonine-protein kinase 26 reviewed Kinase STK26 Thermal melting change '=' 0 degrees C
Q13557 BXGT013376 Calcium/calmodulin-dependent protein kinase type II subunit delta reviewed Kinase CAMK2D Thermal melting change '=' 0 degrees C
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 Thermal melting change '=' 0 degrees C
P78368 BXGT011840 Casein kinase I isoform gamma-2 reviewed Kinase CSNK1G2 Thermal melting change '=' 0 degrees C
Q9Y6M4 BXGT022335 Casein kinase I isoform gamma-3 reviewed Kinase CSNK1G3 Thermal melting change '=' 0 degrees C
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00017 Burdock Arctium lappa Vegetables
BXGF00170 Sesame Sesamum orientale Herbs and Spices
BXGF00294 Cardoon Cynara cardunculus Vegetables
BXGF01001 Espeletia moritziana Espeletia moritziana Others
BXGF01258 Vernonia leopoldi Vernonia leopoldi Others
BXGF01341 Trachelospermum jasminoides Trachelospermum jasminoides Medicinal Plant
BXGF01359 Daphne feddei Daphne feddei Others
BXGF01459 Brachylaena ramiflora Brachylaena ramiflora Others
BXGF01518 Ipomoea cairica Ipomoea cairica Medicinal Plant
BXGF01526 Kielmeyera albopunctata Kielmeyera albopunctata Others
BXGF01910 Trachelospermum asiaticum Trachelospermum asiaticum Medicinal Plant
BXGF02362 Prunus serrulata var. spontanea Prunus serrulata var. spontanea Medicinal Plant
BXGF02521 Hymenaea courbaril Hymenaea courbaril Medicinal Plant
BXGF02956 Forsythia viridissima Forsythia viridissima Medicinal Plant
BXGF03017 Decaisnea fargesii Decaisnea fargesii Medicinal Plant
BXGF03253 Forsythia suspensa Forsythia suspensa Medicinal Plant
BXGF03415 Aframomum sulcatum Aframomum sulcatum Human Edible Plant
BXGF03686 Diospyros buxifolia Diospyros buxifolia Medicinal Plant
BXGF03783 Taiwania cryptomerioides Taiwania cryptomerioides Others
BXGF03976 Nuxia oppositifolia Nuxia oppositifolia Others
BXGF03990 Castanopsis cuspidata Castanopsis cuspidata Medicinal Plant
BXGF04664 Torreya nucifera Torreya nucifera Medicinal Plant
BXGF04962 Forsythia suspense Forsythia suspense Others
BXGF05133 Montanoa guatemalensis Montanoa guatemalensis Others
BXGF05179 Asplenium septentrionale Asplenium septentrionale Medicinal Plant
BXGF05182 Senecio variabilis Senecio variabilis Others
BXGF05247 Dendrobium thyrsiflorum Dendrobium thyrsiflorum Medicinal Plant
BXGF05311 Pteris pacifica Pteris pacifica Others
BXGF05401 Colliguaja salicifolia Colliguaja salicifolia Others
BXGF05423 Laburnum watereri Laburnum watereri Others
BXGF05637 Dendrobium crepidatum Dendrobium crepidatum Others
BXGF05717 Sutherlandia frutescens Sutherlandia frutescens Others
BXGF05735 Achillea tuzsonii Achillea tuzsonii Others
BXGF05759 Baillonella toxisperma Baillonella toxisperma Medicinal Plant
BXGF05868 Centaurea cana Centaurea cana Others
BXGF05912 Alhagi persarum Alhagi persarum Others
BXGF05975 Acacia kempeana Acacia kempeana Medicinal Plant
BXGF06001 Polygonatum stenophyllum Polygonatum stenophyllum Others
BXGF06030 Teucrium lanigerum Teucrium lanigerum Others
BXGF06282 Daphne genkwa Daphne genkwa 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