Showing entry for Cinnamtannin D1


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009041
Compound NameCinnamtannin D1
Structure
FormulaC45H36O18
InchiKeyBYSRPHRKESMCPO-HMQYECKYSA-N
SMILES[H][C@@]12[C@@H](O)[C@@](OC3=CC(O)=CC(O)=C13)(OC1=C2C2=C([C@@H]([C@@H](O)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@@H](O)C3)C2=CC=C(O)C(O)=C2)C(O)=C1)C1=CC=C(O)C(O)=C1
InchiInChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,4
IUPAC(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,?.01?,2?]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol
Molecular Weight864.77
Pubchem Id46173958
Chembl IdCHEMBL1213876
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 n.a
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
CHEMBL CHEMBL1213876
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
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 95 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 2 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 44 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00194 Lingonberry Vaccinium vitis-idaea Fruits
BXGF00823 Fruits Fruits
BXGF00989 Asteriscus aquaticus Asteriscus aquaticus Others
BXGF01018 Cinnamomum subavenium Cinnamomum subavenium Medicinal Plant
BXGF01102 Pseudowintera colorata Pseudowintera colorata Others
BXGF01180 Phebalium dentatum Phebalium dentatum Others
BXGF01217 Ecballium elaterium Ecballium elaterium Medicinal Plant
BXGF01242 Capparis ovata Capparis ovata Medicinal Plant
BXGF01244 Croton montevidensis Croton montevidensis Others
BXGF01327 Datisca glomerata Datisca glomerata Others
BXGF01378 Quercus imbricaria Quercus imbricaria Medicinal Plant
BXGF01409 Dioscorea olfersiana Dioscorea olfersiana Human Edible Plant
BXGF01444 Cassine papillosa Cassine papillosa Human Edible Plant
BXGF03051 Phyllanthus oligospermus Phyllanthus oligospermus Others
BXGF03479 Bombax ceiba Bombax ceiba Medicinal Plant
BXGF04087 Erysimum odoratum Erysimum odoratum Others
BXGF04092 Heterotheca inuloides Heterotheca inuloides Medicinal Plant
BXGF04098 Delphinium andersoni Delphinium andersoni Others
BXGF04126 Vismia jefensis Vismia jefensis Others
BXGF04142 Angelica tarokoensis Angelica tarokoensis Others
BXGF04147 Swertia delavayi Swertia delavayi Others
BXGF04153 Solanum andigena Solanum andigena Others
BXGF04165 Epimedium davidii Epimedium davidii Medicinal Plant
BXGF04168 Globba malaccensis Globba malaccensis Medicinal Plant
BXGF04175 Diphasia angolensis Diphasia angolensis Others
BXGF04182 Knightia excelsa Knightia excelsa Medicinal Plant
BXGF04199 Isodon japonicus Isodon japonicus Medicinal Plant
BXGF04207 Solanum acaule Solanum acaule Others
BXGF04216 Frullania tamarisci Frullania tamarisci Others
BXGF04221 Alangium premnifolium Alangium premnifolium Others
BXGF04233 Saussurea carthamoides Saussurea carthamoides Others
BXGF04250 Galenia africana Galenia africana Medicinal Plant
BXGF04264 Micromeria pineolens Micromeria pineolens Others
BXGF04269 Gnidia lamprantha Gnidia lamprantha Medicinal Plant
BXGF04276 Ilex amara Ilex amara Others
BXGF04295 Leonurus glaucescens Leonurus glaucescens Medicinal Plant
BXGF04342 Salacia madagascariensis Salacia madagascariensis Human Edible Plant
BXGF04343 Maba buxifolia Maba buxifolia Medicinal Plant
BXGF04777 Quercus sessiliflora Quercus sessiliflora Others
BXGF05078 Alstonia undulifolia Alstonia undulifolia Others
BXGF05143 Scrophularia koelzii Scrophularia koelzii Medicinal Plant
BXGF05225 Betula platyphylla Betula platyphylla Medicinal Plant
BXGF05283 Polygonum flaccidum Polygonum flaccidum Medicinal Plant
BXGF05378 Hubertia tomentosa Hubertia tomentosa Others
BXGF05453 Ligustrum obtusifolium Ligustrum obtusifolium Medicinal Plant
BXGF05480 Lepidium draba Lepidium draba Medicinal Plant
BXGF05541 Helichrysum auriceps Helichrysum auriceps Others
BXGF05871 Fagus fusca Fagus fusca Others
BXGF05889 Spiracantha cornifolia Spiracantha cornifolia Others
BXGF05952 Tylophora tanakae Tylophora tanakae Others
BXGF06031 Myristica cagayanensis Myristica cagayanensis Others
BXGF06236 Charpentiera obovata Charpentiera obovata Others
BXGF06270 Lotus ucrainicus Lotus ucrainicus 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