Showing entry for Scutellarin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0044080
Compound NameScutellarin
Structure
FormulaC21H18O12
InchiKeyDJSISFGPUUYILV-ZFORQUDYSA-N
SMILESOC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
IUPAC(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight462.08
Pubchem Id185617
Chembl IdCHEMBL487805
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 50242284
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 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 - 63400 - -
reviewed BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed UGT1A1 96600 - - -
reviewed BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed UGT1A10 208000 - - -
reviewed BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 - 75000 - -
reviewed BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 - 10000 - -
reviewed BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 25900 - - -
CHEMBL CHEMBL487805
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
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 53 %
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Drug uptake - - -
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 IC50 '=' 10000 nM
P80457 BXGT011911 Xanthine dehydrogenase/oxidase reviewed - XDH Inhibition '=' 16 %
B4URF0 BXGT002146 Neuraminidase unreviewed - NA IC50 '=' 59900 nM
B4URF0 BXGT002146 Neuraminidase unreviewed - NA IC50 '=' 47300 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Vmax '=' 0 nmol/min/mg
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Km '=' 43000 nM
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 IC50 '=' 75000 nM
P34969 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 IC50 '=' 63400 nM
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Ki '=' 25900 nM
B4URF0 BXGT002146 Neuraminidase unreviewed - NA IC50 '=' 50600 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Vmax '=' 0 nmol/min/mg
O15438 BXGT004168 Canalicular multispecific organic anion transporter 2 reviewed Transporter ABCC3 Inhibition - - -
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Vmax '=' 113 pmol/min/mg
Q9Y694 BXGT022321 Solute carrier family 22 member 7 reviewed Transporter SLC22A7 Drug uptake - - -
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 50 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Drug uptake - - -
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 88 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Drug uptake - - -
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 91 %
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Km '=' 174000 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Vmax/Km '=' 11 microL/min/mg
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Ki '=' 208000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Ratio '=' 65 -
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 Ratio '=' 3 -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Vmax '=' 1 nmol/min/mg
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Ki '=' 96600 nM
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 Ratio '=' 57 -
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Km '=' 198000 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Km '=' 225000 nM
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Vmax/Km '=' 11 microL/min/mg
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 Inhibition - - -
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 Drug uptake - - -
O15438 BXGT004168 Canalicular multispecific organic anion transporter 2 reviewed Transporter ABCC3 Ratio '=' 1 -
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Vmax/Km '=' 4 microL/min/mg
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Vmax/Km '=' 1 microL/min/mg
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00142 Purslane Portulaca oleracea Herbs and Spices
BXGF00269 Asian pear Pyrus pyrifolia Fruits
BXGF00938 Dendrophthoe falcata Dendrophthoe falcata Medicinal Plant
BXGF00959 Artemisia hanseniana Artemisia hanseniana Others
BXGF01023 Salvia cyanescens Salvia cyanescens Others
BXGF01159 Kopsia grandifolia Kopsia grandifolia Others
BXGF01281 Ledebouria socialis Ledebouria socialis Others
BXGF01292 Dorstenia barteri Dorstenia barteri Medicinal Plant
BXGF01361 Lycopus europaeus Lycopus europaeus Medicinal Plant
BXGF01400 Dipterocarpus dyeri Dipterocarpus dyeri Others
BXGF01518 Ipomoea cairica Ipomoea cairica Medicinal Plant
BXGF01681 Barleria acanthoides Barleria acanthoides Medicinal Plant
BXGF01699 Ceanothus velutinus Ceanothus velutinus Medicinal Plant
BXGF01732 Garcinia scortechinii Garcinia scortechinii Others
BXGF01756 Apollonias barbujana Apollonias barbujana Others
BXGF01781 Chlorophytum borivilianum Chlorophytum borivilianum Medicinal Plant
BXGF02167 Scutellaria barbata Scutellaria barbata Medicinal Plant
BXGF02316 Isodon lophanthoides Isodon lophanthoides Medicinal Plant
BXGF02336 Marrubium globosum Marrubium globosum Others
BXGF02475 Uncaria sessilifructus Uncaria sessilifructus Medicinal Plant
BXGF02596 Fragaria vesca Fragaria vesca Medicinal Plant
BXGF02767 Aloe nobilis Aloe nobilis Others
BXGF02783 Hexalobus crispiflorus Hexalobus crispiflorus Medicinal Plant
BXGF02837 Tsuga heterophylla Tsuga heterophylla Medicinal Plant
BXGF02899 Euodia lunu-ankenda Euodia lunu-ankenda Others
BXGF03090 Lasianthus fordii Lasianthus fordii Others
BXGF04121 Cordia elaeagnoides Cordia elaeagnoides Others
BXGF04750 Scutellaria baicalensis Scutellaria baicalensis Medicinal Plant
BXGF05096 Aconitum leucostomum Aconitum leucostomum Medicinal Plant
BXGF05200 Aquilegia ecalcarata Aquilegia ecalcarata Medicinal Plant
BXGF05204 Erigeron breviscapus Erigeron breviscapus Medicinal Plant
BXGF05316 Persea mexicana Persea mexicana Others
BXGF05376 Eschscholzia californica Eschscholzia californica Medicinal Plant
BXGF05767 Gardenia tubifera Gardenia tubifera Medicinal Plant
BXGF05845 Panax innovans Panax innovans Others
BXGF05856 Isodon leucophyllus Isodon leucophyllus Medicinal Plant
BXGF05864 Ptelea viscosa Ptelea viscosa Others
BXGF05956 Blumea mollis Blumea mollis Medicinal Plant
BXGF06006 Centaurea corcubionensis Centaurea corcubionensis Others
BXGF06070 Perilla frutescens Perilla frutescens Medicinal Plant
BXGF06151 Scutellaria lateriflora Scutellaria lateriflora Others
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