Showing entry for Herniarin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000578
Compound NameHerniarin
Structure
FormulaC10H8O3
InchiKeyLIIALPBMIOVAHH-UHFFFAOYSA-N
SMILESCOC1=CC2=C(C=CC(=O)O2)C=C1
InchiInChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
IUPAC7-methoxy-2H-chromen-2-one
Molecular Weight176.17
Pubchem Id10748
Chembl IdCHEMBL49732
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 EBF
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
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed PPARG Nuclear receptor - - - -
Binding DB 50303499
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 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - >500000 - -
reviewed BXGT004119 Exportin-1 reviewed Receptor XPO1 - >25000 - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 67500 - -
reviewed BXGT012549 Sorbitol dehydrogenase reviewed Enzyme SORD - 124000 - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 131000 - -
reviewed BXGT020260 Carbonic anhydrase 13 reviewed Ca13 8900 - - -
reviewed BXGT021769 Carbonic anhydrase 14 reviewed CA14 9000 - - -
reviewed BXGT019994 Carbonic anhydrase 15 reviewed Ca15 8400 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 9700 - - -
reviewed BXGT008802 Carbonic anhydrase 4 reviewed CA4 8300 - - -
reviewed BXGT006627 Carbonic anhydrase 3 reviewed CA3 96000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >500000 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 5900 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 9800 - - -
reviewed BXGT010364 Carbonic anhydrase 7 reviewed CA7 2400 - - -
reviewed BXGT008844 Carbonic anhydrase 6 reviewed CA6 5500 - - -
reviewed BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed CA5B >500000 - - -
reviewed BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed CA5A 5100 - - -
CHEMBL CHEMBL49732
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
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 50118 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '=' 1 %
Q9D6N1 BXGT020260 Carbonic anhydrase 13 reviewed - Ca13 Ki '=' 8900 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 31622 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
O14980 BXGT004119 Exportin-1 reviewed Receptor XPO1 IC50 '>' 25000 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition - - -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 31622 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 148 %
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '>' 500000 nM
Q9Y2D0 BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed - CA5B Ki '>' 500000 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 9700 nM
P04370 BXGT006197 Myelin basic protein reviewed - Mbp Activity - - -
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 9800 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 500000 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 3981 nM
P43166 BXGT010364 Carbonic anhydrase 7 reviewed - CA7 Ki '=' 2400 nM
P23280 BXGT008844 Carbonic anhydrase 6 reviewed - CA6 Ki '=' 5500 nM
P35218 BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed - CA5A Ki '=' 5100 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 5900 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 67500 nM
Q99N23 BXGT019994 Carbonic anhydrase 15 reviewed - Ca15 Ki '=' 8400 nM
Q9ULX7 BXGT021769 Carbonic anhydrase 14 reviewed - CA14 Ki '=' 9000 nM
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 8300 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
Q00796 BXGT012549 Sorbitol dehydrogenase reviewed Enzyme SORD IC50 '=' 124000 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition - - -
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 131000 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 7943 nM
P07451 BXGT006627 Carbonic anhydrase 3 reviewed - CA3 Ki '=' 96000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 104 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 96 %
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '>' 10000 nM
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Activity - - -
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00043 Caraway Carum carvi Herbs and Spices
BXGF00046 Roman camomile Chamaemelum nobile Herbs and Spices
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00107 German camomile Matricaria recutita Herbs and Spices
BXGF00823 Fruits Fruits
BXGF00918 Urbanodendron verrucosum Urbanodendron verrucosum Others
BXGF00944 Ajuga reptans Ajuga reptans Medicinal Plant
BXGF00960 Adenia fruticosa Adenia fruticosa Others
BXGF00986 Centrosema haitense Centrosema haitense Others
BXGF01065 Artemisia capillaris Artemisia capillaris Medicinal Plant
BXGF01095 Bupleurum salicifolium Bupleurum salicifolium Others
BXGF01128 Aster ptarmicoides Aster ptarmicoides Medicinal Plant
BXGF01153 Aniba duckei Aniba duckei Medicinal Plant
BXGF01202 Osteospermum hyoseroides Osteospermum hyoseroides Others
BXGF01268 Nama johnstonii Nama johnstonii Others
BXGF01290 Dictamnus gymnostylis Dictamnus gymnostylis Others
BXGF01369 Descurainia sophia Descurainia sophia Medicinal Plant
BXGF01375 Pinus massoniana Pinus massoniana Medicinal Plant
BXGF01441 Hopea brevipetiolaris Hopea brevipetiolaris Others
BXGF01494 Sedum cepaea Sedum cepaea Medicinal Plant
BXGF01867 Rubus phoenicolasius Rubus phoenicolasius Medicinal Plant
BXGF01957 Isodon gesneroides Isodon gesneroides Medicinal Plant
BXGF02244 Galium album Galium album Medicinal Plant
BXGF02369 Sophora davidii Sophora davidii Medicinal Plant
BXGF02473 Echinochloa esculenta Echinochloa esculenta Human Edible Plant
BXGF02946 Artemisia anomala Artemisia anomala Medicinal Plant
BXGF03040 Lophozia floerkei Lophozia floerkei Others
BXGF03132 Ancistrocladus korupensis Ancistrocladus korupensis Medicinal Plant
BXGF03190 Phytolacca thyrsiflora Phytolacca thyrsiflora Others
BXGF03285 Corydalis thalictrifolia Corydalis thalictrifolia Medicinal Plant
BXGF03355 Althaea officinalis Althaea officinalis Medicinal Plant
BXGF03377 Hydrangea chinensis Hydrangea chinensis Others
BXGF03424 Calliandra eriophylla Calliandra eriophylla Others
BXGF03561 Saussurea pulchella Saussurea pulchella Medicinal Plant
BXGF03761 Girgensohnia diptera Girgensohnia diptera Others
BXGF04107 Plagiomnium undulatum Plagiomnium undulatum Others
BXGF04490 Stephania hernandifolia Stephania hernandifolia Medicinal Plant
BXGF04751 Virola sebifera Virola sebifera Human Edible Plant
BXGF04783 Ruta pinnata Ruta pinnata Medicinal Plant
BXGF04935 Artemisia caucasica Artemisia caucasica Others
BXGF05044 murraya alata murraya alata Others
BXGF05122 Echinopepon bigelovii Echinopepon bigelovii Others
BXGF05165 Ruta graveolens Ruta graveolens Medicinal Plant
BXGF05168 Smallanthus glabratus Smallanthus glabratus Others
BXGF05206 Corydalis gigantea Corydalis gigantea Medicinal Plant
BXGF05373 Torricellia tiliifolia Torricellia tiliifolia Others
BXGF05538 Conyza bonariensis Conyza bonariensis Medicinal Plant
BXGF05697 Dysosma delavayi Dysosma delavayi Others
BXGF05882 Mosla japonica Mosla japonica Others
BXGF06074 Artemisia lactiflora Artemisia lactiflora Medicinal Plant
BXGF06132 Millettia rubiginosa Millettia rubiginosa Others
BXGF06166 Polypodiodes formosana Polypodiodes formosana Others
BXGF06232 Gomphostemma crinitum Gomphostemma crinitum Medicinal Plant
BXGF06267 Maharanga bicolor Maharanga bicolor 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