Showing entry for Alpha-Amyrin



                             
General Compound Information
BXGC IdBXGC0037083
Compound NameAlpha-Amyrin
Structure
FormulaC30H50O
InchiKeyFSLPMRQHCOLESF-SFMCKYFRSA-N
SMILESC[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
InchiInChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
IUPAC(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Molecular Weight426.39
Pubchem Id73170
Chembl IdCHEMBL455357
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 50241956
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 BXGT018814 G-protein coupled bile acid receptor 1 reviewed G-protein coupled receptor GPBAR1 - - - >10000
reviewed BXGT007697 DNA topoisomerase 2-alpha reviewed TOP2A - >250000 - -
reviewed BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 - >250000 - -
CHEMBL CHEMBL455357
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
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 IC50 '>' 250000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 112 %
P11388 BXGT007697 DNA topoisomerase 2-alpha reviewed - TOP2A IC50 '>' 250000 nM
Q8TDU6 BXGT018814 G-protein coupled bile acid receptor 1 reviewed G-protein coupled receptor GPBAR1 Efficacy '=' 0 %
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 EC50 '=' 0 nM
Q8TDU6 BXGT018814 G-protein coupled bile acid receptor 1 reviewed G-protein coupled receptor GPBAR1 EC50 '>' 10000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 105 %
P62258 BXGT011415 14-3-3 protein epsilon reviewed Chaperone YWHAE Inhibition - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 19260 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF00054 Lemon Citrus limon Fruits
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00106 Mango Mangifera indica Fruits
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00303 Chia Salvia hispanica Herbs and Spices
BXGF00327 Durian Durio zibethinus Fruits
BXGF00804 Chinese bayberry Myrica rubra Fruits
BXGF00846 Gentiana lutea Gentiana lutea Vegetables
BXGF00855 Nerium oleander Nerium oleander Medicinal Plant
BXGF00891 Artabotrys uncinatus Artabotrys uncinatus Others
BXGF00905 Scrophularia leucoclada Scrophularia leucoclada Others
BXGF00944 Ajuga reptans Ajuga reptans Medicinal Plant
BXGF00946 Artemisia montana Artemisia montana Medicinal Plant
BXGF00958 Dryopteris crenata Dryopteris crenata Others
BXGF00998 Syncarpia hillii Syncarpia hillii Others
BXGF01040 Euphorbia sancta Euphorbia sancta Others
BXGF01042 Silene fortunei Silene fortunei Others
BXGF01075 Arnebia decumbens Arnebia decumbens Others
BXGF01076 Neolitsea dealbata Neolitsea dealbata Others
BXGF01078 Isoplexis chalcantha Isoplexis chalcantha Others
BXGF01107 Sideritis lotsyi Sideritis lotsyi Others
BXGF01141 Barbacenia flava Barbacenia flava Others
BXGF01156 Senecio madagascariensis Senecio madagascariensis Human Edible Plant
BXGF01161 Nigella aristata Nigella aristata Others
BXGF01193 Teucrium leucocladum Teucrium leucocladum Others
BXGF01212 Crotalaria mitchellii Crotalaria mitchellii Others
BXGF01243 Asphodeline tenuior Asphodeline tenuior Others
BXGF01255 Lemaireocereus griseus Lemaireocereus griseus Human Edible Plant
BXGF01257 Eucalyptus froggattii Eucalyptus froggattii Others
BXGF01277 Glycyrrhiza triphylla Glycyrrhiza triphylla Others
BXGF01293 Peucedanum longifolium Peucedanum longifolium Others
BXGF01338 Amsinckia menziesii Amsinckia menziesii Others
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF01434 Swertia corymbosa Swertia corymbosa Others
BXGF01455 Diospyros eriantha Diospyros eriantha Others
BXGF01480 Periploca sepium Periploca sepium Medicinal Plant
BXGF01491 Alkanna cappadocica Alkanna cappadocica Medicinal Plant
BXGF01504 Gymnadenia conopsea Gymnadenia conopsea Medicinal Plant
BXGF01515 Polypodium vulgare Polypodium vulgare Medicinal Plant
BXGF01524 Artemisia dentata Artemisia dentata Others
BXGF01533 Sindora wallichii Sindora wallichii Medicinal Plant
BXGF01536 Veronica pectinata Veronica pectinata Others
BXGF01545 Balanophora harlandii Balanophora harlandii Others
BXGF01551 Sauropus quadrangularis Sauropus quadrangularis Medicinal Plant
BXGF01553 Iris hoogiana Iris hoogiana Others
BXGF01571 Pistacia mexicana Pistacia mexicana Human Edible Plant
BXGF01589 Glycosmis puberula Glycosmis puberula Others
BXGF01592 Plantago lanceolata Plantago lanceolata Medicinal Plant
BXGF01633 Scorzonera pseudodivaricata Scorzonera pseudodivaricata Others
BXGF01644 Otanthus maritimus Otanthus maritimus Others
BXGF01649 Rapanea lancifolia Rapanea lancifolia Others
BXGF01670 Ononis vaginalis Ononis vaginalis Others
BXGF01685 Metanarthecium luteoviride Metanarthecium luteoviride Others
BXGF01697 Dolichandrone crispa Dolichandrone crispa Medicinal Plant
BXGF01708 Narcissus concolor Narcissus concolor Others
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF01786 Berkheya rhapontica Berkheya rhapontica Medicinal Plant
BXGF01798 Melaleuca uncinata Melaleuca uncinata Others
BXGF01801 Bothriocline longipes Bothriocline longipes Medicinal Plant
BXGF01814 Lespedeza davidii Lespedeza davidii Others
BXGF01833 Hakea saligna Hakea saligna Others
BXGF01916 Clerodendrum cyrtophyllum Clerodendrum cyrtophyllum Medicinal Plant
BXGF01930 Mollinedia costaricensis Mollinedia costaricensis Others
BXGF01942 Acanthothamnus aphyllus Acanthothamnus aphyllus Others
BXGF01944 Echinops niveus Echinops niveus Others
BXGF01979 Cephalotaxus hainanensis Cephalotaxus hainanensis Others
BXGF02021 Alnus japonica Alnus japonica Medicinal Plant
BXGF02073 Tripodanthus acutifolius Tripodanthus acutifolius Medicinal Plant
BXGF02075 Swertia punctata Swertia punctata Medicinal Plant
BXGF02130 Maytenus buxifolia Maytenus buxifolia Others
BXGF02166 Niphogeton ternata Niphogeton ternata Others
BXGF02177 Croton rhamnifolius Croton rhamnifolius Others
BXGF02493 Polemonium caeruleum Polemonium caeruleum Medicinal Plant
BXGF02549 Corydalis claviculata Corydalis claviculata Medicinal Plant
BXGF02553 Avrainvillea nigricans Avrainvillea nigricans Others
BXGF02607 Acacia pruinosa Acacia pruinosa Others
BXGF02637 Centaurea horrida Centaurea horrida Others
BXGF02639 Rhododendron ferrugineum Rhododendron ferrugineum Human Edible Plant
BXGF02640 Spilanthes ocymifolia Spilanthes ocymifolia Others
BXGF02643 Cycas beddomei Cycas beddomei Medicinal Plant
BXGF02650 Uvaria kirkii Uvaria kirkii Human Edible Plant
BXGF02659 Vernonia echitifolia Vernonia echitifolia Others
BXGF02663 Atalantia racemosa Atalantia racemosa Medicinal Plant
BXGF02672 Papaver commutatum Papaver commutatum Medicinal Plant
BXGF02713 Drypetes roxburghii Drypetes roxburghii Medicinal Plant
BXGF02772 Alstonia scholaris Alstonia scholaris Medicinal Plant
BXGF02778 Eucalyptus exserta Eucalyptus exserta Others
BXGF02793 Podolepis longipedata Podolepis longipedata Others
BXGF02825 Buddleja variabilis Buddleja variabilis Others
BXGF02830 Amaranthus hybr Amaranthus hybr Medicinal Plant
BXGF02850 Inga paterno Inga paterno Human Edible Plant
BXGF02937 Senecio scandens Senecio scandens Medicinal Plant
BXGF02941 Pluchea lanceolata Pluchea lanceolata Medicinal Plant
BXGF02942 Arnica foliosa Arnica foliosa Others
BXGF02966 Achillea magnifica Achillea magnifica Others
BXGF03001 Vallaris solanacea Vallaris solanacea Medicinal Plant
BXGF03004 Pinus monophylla Pinus monophylla Medicinal Plant
BXGF03009 Crinum stuhlmannii Crinum stuhlmannii Others
BXGF03014 Cirsium japonicum Cirsium japonicum Medicinal Plant
BXGF03025 Scutellaria seleriana Scutellaria seleriana Others
BXGF03045 Jaborosa caulescens Jaborosa caulescens Others
BXGF03046 Cynanchum formosanum Cynanchum formosanum Others
BXGF03048 Campsis grandiflora Campsis grandiflora Medicinal Plant
BXGF03065 Mentha pulegiformis Mentha pulegiformis Others
BXGF03071 Hypolepis punctata Hypolepis punctata Medicinal Plant
BXGF03096 Salvia nubicola Salvia nubicola Human Edible Plant
BXGF03125 Grindelia nana Grindelia nana Others
BXGF03170 Haloxylon salicornicum Haloxylon salicornicum Medicinal Plant
BXGF03187 Verbena triphylla Verbena triphylla Medicinal Plant
BXGF03229 Leucanthemum maximum Leucanthemum maximum Others
BXGF03235 Syzygium samarangense Syzygium samarangense Medicinal Plant
BXGF03249 Vitex trifolia Vitex trifolia Medicinal Plant
BXGF03269 Iodes cirrhosa Iodes cirrhosa Others
BXGF03281 Calea megacephala Calea megacephala Others
BXGF03283 Astilbe myriantha Astilbe myriantha Others
BXGF03307 Strychnos ledermannii Strychnos ledermannii Others
BXGF03323 Abies nobilis Abies nobilis Others
BXGF03342 Buddleja cordata Buddleja cordata Others
BXGF03345 Persea indica Persea indica Medicinal Plant
BXGF03349 Persicaria filiformis Persicaria filiformis Others
BXGF03369 Corydalis cornuta Corydalis cornuta Others
BXGF03393 Stypandra imbricata Stypandra imbricata Others
BXGF03401 Disepalum plagioneurum Disepalum plagioneurum Others
BXGF03418 Piper aequale Piper aequale Medicinal Plant
BXGF03430 Alkanna hirsutissima Alkanna hirsutissima Others
BXGF03448 Pinus picea Pinus picea Others
BXGF03466 Picris radicata Picris radicata Others
BXGF03525 Acrocomia sclerocarpa Acrocomia sclerocarpa Others
BXGF03540 Eremophila serrulata Eremophila serrulata Others
BXGF03550 Rodgersia podophylla Rodgersia podophylla Medicinal Plant
BXGF03566 Delphinium campylocentrum Delphinium campylocentrum Others
BXGF03574 Cordyline indivisa Cordyline indivisa Medicinal Plant
BXGF03588 Primula hirsuta Primula hirsuta Others
BXGF03604 Jasminum grandiflorum Jasminum grandiflorum Medicinal Plant
BXGF03611 Viscum coloratum Viscum coloratum Medicinal Plant
BXGF03643 Cytisus scoparius Cytisus scoparius Medicinal Plant
BXGF03680 Aconitum brevicalcaratum Aconitum brevicalcaratum Others
BXGF03747 Millettia erythrocalyx Millettia erythrocalyx Medicinal Plant
BXGF03761 Girgensohnia diptera Girgensohnia diptera Others
BXGF03814 Juniperus rigida var. conferta Juniperus rigida var. conferta Medicinal Plant
BXGF03838 Euphorbia biglandulosa Euphorbia biglandulosa Others
BXGF03972 Crinum kirkii Crinum kirkii Medicinal Plant
BXGF03978 Hoffmannia strigillosa Hoffmannia strigillosa Others
BXGF04115 Sideritis argosphacelus Sideritis argosphacelus Others
BXGF04177 Cordylanthus kingii Cordylanthus kingii Others
BXGF04199 Isodon japonicus Isodon japonicus Medicinal Plant
BXGF04299 Cladrastis kentukea Cladrastis kentukea Others
BXGF04346 Micromelum minutum Micromelum minutum Medicinal Plant
BXGF04401 Annona impressivenia Annona impressivenia Others
BXGF04424 Hypericum triquetrifolium Hypericum triquetrifolium Medicinal Plant
BXGF04477 Artemisia vestita Artemisia vestita Medicinal Plant
BXGF04578 Metzgeria pubescens Metzgeria pubescens Others
BXGF04611 Artemisia argyi Artemisia argyi Medicinal Plant
BXGF04614 Aegilops geniculata Aegilops geniculata Others
BXGF04728 Alseodaphne corneri Alseodaphne corneri Others
BXGF04730 Thymus piperella Thymus piperella Human Edible Plant
BXGF04739 Forsteronia refracta Forsteronia refracta Others
BXGF04742 Eragrostis viscosa Eragrostis viscosa Medicinal Plant
BXGF04747 Nauclea officinalis Nauclea officinalis Medicinal Plant
BXGF04753 Grewia mollis Grewia mollis Medicinal Plant
BXGF04765 Heterotheca grandiflora Heterotheca grandiflora Others
BXGF04771 Croton cumingii Croton cumingii Medicinal Plant
BXGF04775 Bersama yangambiensis Bersama yangambiensis Others
BXGF04783 Ruta pinnata Ruta pinnata Medicinal Plant
BXGF04795 Disynaphia halimifolia Disynaphia halimifolia Others
BXGF04821 Kaunia saltensis Kaunia saltensis Others
BXGF04826 Heliotropium floridum Heliotropium floridum Others
BXGF04835 Castanopsis sclerophylla Castanopsis sclerophylla Medicinal Plant
BXGF04839 Gymnocarpium robertianum Gymnocarpium robertianum Others
BXGF04846 Oncoba echinata Oncoba echinata Others
BXGF04851 Salvia dorrii Salvia dorrii Others
BXGF04858 Teucrium depressum Teucrium depressum Others
BXGF04866 Aconitum nevadense Aconitum nevadense Others
BXGF04871 Trichilia rubescens Trichilia rubescens Others
BXGF04874 Conocephalum japonicum Conocephalum japonicum Others
BXGF04880 Hovenia acerba Hovenia acerba Medicinal Plant
BXGF04885 Stevia polycephala Stevia polycephala Others
BXGF04893 Sophora angustifolia Sophora angustifolia Others
BXGF04901 Kaempferia marginata Kaempferia marginata Medicinal Plant
BXGF04902 Lupinus cosentinii Lupinus cosentinii Others
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF04924 Rhododendron formosanum Rhododendron formosanum Others
BXGF04995 Aralia continentalis Aralia continentalis Medicinal Plant
BXGF05006 Ammodendron conollyi Ammodendron conollyi Others
BXGF05031 Echinops kebericho Echinops kebericho Human Edible Plant
BXGF05038 Hymenoxys scaposa Hymenoxys scaposa Others
BXGF05064 Fridericia chica Fridericia chica Medicinal Plant
BXGF05105 Cirsium dipsacolepis Cirsium dipsacolepis Medicinal Plant
BXGF05132 Mesembryanthemum anatomicum Mesembryanthemum anatomicum Medicinal Plant
BXGF05140 Amomum neoaurantiacum Amomum neoaurantiacum Others
BXGF05158 Elaeagnus angustifolia Elaeagnus angustifolia Medicinal Plant
BXGF05168 Smallanthus glabratus Smallanthus glabratus Others
BXGF05180 Malva sylvestris Malva sylvestris Medicinal Plant
BXGF05190 Ferula gummosa Ferula gummosa Medicinal Plant
BXGF05218 Hedysarum multijugum Hedysarum multijugum Medicinal Plant
BXGF05245 Doodia picta Doodia picta Others
BXGF05246 Viguiera annua Viguiera annua Others
BXGF05253 Canarium album Canarium album Medicinal Plant
BXGF05321 Dracaena ombet Dracaena ombet Others
BXGF05340 Adiantum caudatum Adiantum caudatum Medicinal Plant
BXGF05359 Viburnum davidii Viburnum davidii Others
BXGF05374 Alnus firma Alnus firma Others
BXGF05400 Agathosma scaberula Agathosma scaberula Others
BXGF05408 Cecropia pachystachya Cecropia pachystachya Human Edible Plant
BXGF05454 Picea vulgaris Picea vulgaris Others
BXGF05462 Campsis flos Campsis flos Others
BXGF05469 Pseudoxandra sclerocarpa Pseudoxandra sclerocarpa Others
BXGF05540 Phegopteris subaurita Phegopteris subaurita Others
BXGF05560 Crambe tatarica Crambe tatarica Medicinal Plant
BXGF05563 Phegopteris bukoensis Phegopteris bukoensis Others
BXGF05565 Coprosma australis Coprosma australis Medicinal Plant
BXGF05568 Eria subsessilis Eria subsessilis Others
BXGF05635 Cocculus diversifolius Cocculus diversifolius Others
BXGF05649 Phlomis regelii Phlomis regelii Others
BXGF05664 Myrica multiflora Myrica multiflora Medicinal Plant
BXGF05716 Trifolium apertum Trifolium apertum Others
BXGF05757 Solanum racemigerum Solanum racemigerum Others
BXGF05773 Myrica arborea Myrica arborea Others
BXGF05787 Smilax glabra Smilax glabra Medicinal Plant
BXGF05789 Teucrium pestalozzae Teucrium pestalozzae Others
BXGF05852 Ixora chinensis Ixora chinensis Medicinal Plant
BXGF05909 Smilax myosotiflora Smilax myosotiflora Medicinal Plant
BXGF05921 Scapania nemorea Scapania nemorea Others
BXGF05926 Eria tomentosa Eria tomentosa Others
BXGF05953 Bryum rutilans Bryum rutilans Others
BXGF05955 Phlomoides hamosa Phlomoides hamosa Others
BXGF05983 Stylotrichium rotundifolium Stylotrichium rotundifolium Others
BXGF06013 Iryanthera polyneura Iryanthera polyneura Others
BXGF06028 Knightia deplanchei Knightia deplanchei Others
BXGF06085 Koompassia malaccensis Koompassia malaccensis Medicinal Plant
BXGF06104 Ptilidium ciliare Ptilidium ciliare Others
BXGF06116 Pteris semipinnata Pteris semipinnata Others
BXGF06121 Gentiana macrophylla pall Gentiana macrophylla pall Others
BXGF06193 Fritillaria ningguoensis Fritillaria ningguoensis Medicinal Plant
BXGF06199 Polygala aureocauda Polygala aureocauda Others
BXGF06242 Pterocaulon polystachyum Pterocaulon polystachyum Others
BXGF06277 Vincetoxicum hirundinaria Vincetoxicum hirundinaria 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