Showing entry for Chinese tannin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000695
Compound NameChinese tannin
Structure
FormulaC76H52O46
InchiKeyLRBQNJMCXXYXIU-UHFFFAOYSA-N
SMILESOC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)
InchiInChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(
IUPAC(1S,18R,20S,21S,22S)-6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,19-trioxatetracyclo[16.3.1.0?,?.01?,1?]docosa-4(9),5,7,10,12,14-hexaen-20-yl 3,4,5-trihydroxybenzoate
Molecular Weight1701.2
Pubchem Id16129878
Chembl Id
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 92479
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 BXGT006320 Plasminogen activator inhibitor 1 reviewed Enzyme modulator SERPINE1 - 7 - -
reviewed BXGT005641 Urokinase-type plasminogen activator reviewed Enzyme PLAU - 6.6 - -
reviewed BXGT005642 Tissue-type plasminogen activator reviewed Enzyme PLAT - 8 - -
reviewed BXGT006517 Urokinase-type plasminogen activator reviewed Plau - 4.1 - -
reviewed BXGT005642 Tissue-type plasminogen activator reviewed Enzyme PLAT - 11800 - -
CHEMBL n.a
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00004 Kiwi Actinidia chinensis Fruits
BXGF00011 Cashew nut Anacardium occidentale Nuts
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00014 Custard apple Annona reticulata Fruits
BXGF00018 Horseradish Armoracia rusticana Herbs and Spices
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00026 Borage Borago officinalis Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00039 Capers Capparis spinosa Herbs and Spices
BXGF00041 Papaya Carica papaya Fruits
BXGF00043 Caraway Carum carvi Herbs and Spices
BXGF00046 Roman camomile Chamaemelum nobile Herbs and Spices
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00051 Ceylon cinnamon Cinnamomum verum Herbs and Spices
BXGF00059 Arabica coffee Coffea arabica Coffee and coffee products
BXGF00061 Coriander Coriandrum sativum Herbs and Spices
BXGF00067 Cumin Cuminum cyminum Herbs and Spices
BXGF00069 Quince Cydonia oblonga Fruits
BXGF00076 Loquat Eriobotrya japonica Fruits
BXGF00081 Fig Ficus carica Fruits
BXGF00085 Soy bean Glycine max Soy
BXGF00087 Sea-buckthornberry Hippophae rhamnoides Fruits
BXGF00089 Hyssop Hyssopus officinalis Herbs and Spices
BXGF00090 Star anise Illicium verum Herbs and Spices
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00094 Common walnut Juglans regia Nuts
BXGF00106 Mango Mangifera indica Fruits
BXGF00107 German camomile Matricaria recutita Herbs and Spices
BXGF00110 Orange mint Mentha aquatica Herbs and Spices
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00119 Sweet basil Ocimum basilicum Herbs and Spices
BXGF00120 Evening primrose Oenothera biennis Herbs and Spices
BXGF00121 Olive Olea europaea Vegetables
BXGF00122 Sweet marjoram Origanum majorana Herbs and Spices
BXGF00124 Common oregano Origanum vulgare Herbs and Spices
BXGF00130 Avocado Persea americana Vegetables
BXGF00135 Date Phoenix dactylifera Fruits
BXGF00140 Pistachio Pistacia vera Nuts
BXGF00142 Purslane Portulaca oleracea Herbs and Spices
BXGF00144 Apricot Prunus armeniaca Fruits
BXGF00146 Sour cherry Prunus cerasus Fruits
BXGF00147 European plum Prunus domestica Fruits
BXGF00149 Peach Prunus persica Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00155 Blackcurrant Ribes nigrum Fruits
BXGF00157 Gooseberry Ribes uva-crispa Fruits
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00164 Sorrel Rumex acetosa Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00166 Black elderberry Sambucus nigra Fruits
BXGF00167 Summer savory Satureja hortensis Herbs and Spices
BXGF00170 Sesame Sesamum orientale Herbs and Spices
BXGF00174 Eggplant Solanum melongena Vegetables
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00180 Tamarind Tamarindus indica Fruits
BXGF00181 Dandelion Taraxacum officinale Herbs and Spices
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00184 Linden Tilia Herbs and Spices
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00196 Common verbena Verbena officinalis Herbs and Spices
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00291 Butternut Juglans cinerea Nuts
BXGF00296 Carob Ceratonia siliqua Vegetables
BXGF00310 Coconut Cocos nucifera Fruits
BXGF00315 Cottonseed Gossypium Herbs and Spices
BXGF00333 European chestnut Castanea sativa Nuts
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00351 Jackfruit Artocarpus heterophyllus Fruits
BXGF00353 Java plum Syzygium cumini Fruits
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00401 American pokeweed Phytolacca americana Vegetables
BXGF00421 Sapodilla Manilkara zapota Fruits
BXGF00440 Soursop Annona muricata Fruits
BXGF00446 Sugar apple Annona squamosa Fruits
BXGF00742 Nance Byrsonima crassifolia Fruits
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