Showing entry for 3,5,7-Trihydroxy-2-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Chromen-4-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0025871
Compound Name3,5,7-Trihydroxy-2-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Chromen-4-One
Structure
FormulaC21H20O12
InchiKeyYLWQTYZKYGNKPI-HMGRVEAOSA-N
SMILESOC[C@H]1O[C@@H](Oc2cc(ccc2O)c2oc3cc(O)cc(c3c(=O)c2O)O)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
IUPAC3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Molecular Weight464.1
Pubchem Id9934142
Chembl IdCHEMBL1222354
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 226183
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 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 100000 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 89210 - -
CHEMBL CHEMBL1222354
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
BXGF01222 Ocimum tenuiflorum Ocimum tenuiflorum Medicinal Plant
BXGF01374 Balanops australiana Balanops australiana Others
BXGF02505 Pinus sylvestris Pinus sylvestris Medicinal Plant
BXGF02802 Araiostegiella perdurans Araiostegiella perdurans Others
BXGF03476 Hylocomium splendens Hylocomium splendens Others
BXGF03763 Millettia laurentii Millettia laurentii Medicinal Plant
BXGF03765 Alcea rosea Alcea rosea Medicinal Plant
BXGF04349 Monodora tenuifolia Monodora tenuifolia Human Edible Plant
BXGF04896 Kokoona reflexa Kokoona reflexa Others
BXGF05083 Viguiera decurrens Viguiera decurrens Medicinal Plant
BXGF05145 Sideritis brevibracteata Sideritis brevibracteata Human Edible Plant
BXGF05184 Maesa ramentacea Maesa ramentacea Medicinal Plant
BXGF05242 Euphorbia cornigera Euphorbia cornigera Others
BXGF05368 Salvia yosgadensis Salvia yosgadensis Others
BXGF05428 Sideroxylon cubense Sideroxylon cubense Others
BXGF05654 Pinus strobus Pinus strobus Medicinal Plant
BXGF05730 Alpinia blepharocalyx Alpinia blepharocalyx Medicinal Plant
BXGF05764 Eucalyptus jenseni Eucalyptus jenseni Others
BXGF05869 Salacia lehmbachii Salacia lehmbachii Medicinal Plant
BXGF05954 Pluchea odorata Pluchea odorata Others
BXGF06033 Euonymus tingens Euonymus tingens 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