Showing entry for roemerine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0030954
Compound Nameroemerine
Structure
FormulaC18H17NO2
InchiKeyJCTYWRARKVGOBK-CQSZACIVSA-N
SMILESCN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1
InchiInChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
IUPAC
Molecular Weight279.13
Pubchem Id119204
Chembl IdCHEMBL483825
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 50306886
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 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 - >50000 - -
CHEMBL CHEMBL483825
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
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 16833 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 2233 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 14125 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 79432 nM
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Kb '=' 338 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 7079 nM
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Ki '=' 251 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C pKb '=' 7 -
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B pKb '=' 6 -
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B Kb '=' 84 nM
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Kb '=' 46 nM
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B Ki '=' 3162 nM
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B pKb '=' 7 -
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Ki '=' 630 nM
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A pKb '=' 6 -
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A pKb '=' 7 -
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D pKb '=' 7 -
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Kb '=' 10 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Kb '=' 15 nM
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B Kb '=' 266 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00397 Colorado pinyon Pinus edulis Nuts
BXGF00459 Wax gourd Benincasa hispida Gourds
BXGF00863 Pyrus bourgaeana Pyrus bourgaeana Human Edible Plant
BXGF01020 Baccharis truncata Baccharis truncata Others
BXGF01101 Ononis viscosa Ononis viscosa Others
BXGF01192 Cuphea hyssopifolia Cuphea hyssopifolia Human Edible Plant
BXGF01237 Magnolia obovata Magnolia obovata Medicinal Plant
BXGF01394 Holarrhena floribunda Holarrhena floribunda Medicinal Plant
BXGF01565 Farfugium japonicum Farfugium japonicum Medicinal Plant
BXGF01600 Sedum sarmentosum Sedum sarmentosum Medicinal Plant
BXGF01628 Salvia broussonetii Salvia broussonetii Others
BXGF01656 Eria rigida Eria rigida Others
BXGF01691 Gynoxys verrucosa Gynoxys verrucosa Others
BXGF01843 Triunia erythrocarpa Triunia erythrocarpa Others
BXGF01984 Chloranthus fortunei Chloranthus fortunei Others
BXGF02007 Sandoricum koetjape Sandoricum koetjape Medicinal Plant
BXGF02033 Suaeda maritima Suaeda maritima Medicinal Plant
BXGF02058 Pedicularis rex Pedicularis rex Others
BXGF02409 Euphorbia palustris Euphorbia palustris Medicinal Plant
BXGF02451 Sorbus torminalis Sorbus torminalis Medicinal Plant
BXGF02661 Sphaerophysa salsula Sphaerophysa salsula Others
BXGF02810 Passiflora coccinea Passiflora coccinea Human Edible Plant
BXGF02930 Euphorbia characias subsp. wulfenii Euphorbia characias subsp. wulfenii Medicinal Plant
BXGF02968 Doronicum grandiflorum Doronicum grandiflorum Others
BXGF03173 Oxytropis lanata Oxytropis lanata Others
BXGF03259 Populus balsamifera Populus balsamifera Medicinal Plant
BXGF03331 Strychnos gossweileri Strychnos gossweileri Others
BXGF03417 Leibnitzia anandria Leibnitzia anandria Medicinal Plant
BXGF03475 Lithocarpus haipinii Lithocarpus haipinii Others
BXGF03535 Horsfieldia iryaghedhi Horsfieldia iryaghedhi Others
BXGF03642 Karwinskia subcordata Karwinskia subcordata Others
BXGF03651 Medicago hispida Medicago hispida Human Edible Plant
BXGF03673 Maytenus octogona Maytenus octogona Others
BXGF03728 Agathosma bisulca Agathosma bisulca Others
BXGF03759 Stephania glabra Stephania glabra Medicinal Plant
BXGF03775 Brickellia dentata Brickellia dentata Others
BXGF03808 Hymenoxys ivesiana Hymenoxys ivesiana Others
BXGF03957 Centaurea benedicta Centaurea benedicta Medicinal Plant
BXGF04069 Posidonia oceanica Posidonia oceanica Others
BXGF04381 Chuquiraga erinacea Chuquiraga erinacea Others
BXGF04892 Achyrocline satureioides Achyrocline satureioides Medicinal Plant
BXGF05099 Alpinia flabellata Alpinia flabellata Medicinal Plant
BXGF05249 Fouquieria diguetii Fouquieria diguetii Others
BXGF05264 Magnolia officinalis Magnolia officinalis Medicinal Plant
BXGF05701 Euphorbia pithyusa Euphorbia pithyusa Others
BXGF05762 Ardisia hortorum Ardisia hortorum Medicinal Plant
BXGF05915 Fritillaria hupehensis Fritillaria hupehensis Medicinal Plant
BXGF06054 Angelica japonica Angelica japonica Medicinal Plant
BXGF06158 Lathyrus latifolius Lathyrus latifolius Medicinal Plant
BXGF06244 Pterocarpus erinaceus Pterocarpus erinaceus 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