Showing entry for (2S,3S)-3,3',4',5,7-Pentahydroxy Flavanonol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031927
Compound Name(2S,3S)-3,3',4',5,7-Pentahydroxy Flavanonol
Structure
FormulaC15H12O7
InchiKeyCXQWRCVTCMQVQX-CABCVRRESA-N
SMILESOc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](C(=O)c2c(c1)O)O
InchiInChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1
IUPAC(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Molecular Weight304.06
Pubchem Id712316
Chembl IdCHEMBL209462
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 DH2
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
Q96323 BXGT019598 Leucoanthocyanidin dioxygenase reviewed LDOX - - - - -
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 CHEMBL209462
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
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF01324 Albizia julibrissin Albizia julibrissin Medicinal Plant
BXGF01341 Trachelospermum jasminoides Trachelospermum jasminoides Medicinal Plant
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus Medicinal Plant
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF01910 Trachelospermum asiaticum Trachelospermum asiaticum Medicinal Plant
BXGF02551 Inula britannica Inula britannica Medicinal Plant
BXGF02959 Tilia miqueliana Tilia miqueliana Medicinal Plant
BXGF03189 Rhododendron dauricum Rhododendron dauricum Medicinal Plant
BXGF03610 Bistorta officinalis Bistorta officinalis Medicinal Plant
BXGF03847 Thermopsis mollis Thermopsis mollis Others
BXGF04053 Smilax china Smilax china Medicinal Plant
BXGF04062 Spatholobus suberectus Spatholobus suberectus Medicinal Plant
BXGF04080 Persicaria orientalis Persicaria orientalis Medicinal Plant
BXGF04224 Bistorta manshuriensis Bistorta manshuriensis Others
BXGF04306 Cordyline neocaledonica Cordyline neocaledonica Others
BXGF04430 Crinum latifolium Crinum latifolium Medicinal Plant
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04953 Polygonum aviculare Polygonum aviculare Medicinal Plant
BXGF05073 Alnus cordata Alnus cordata Human Edible Plant
BXGF05308 Aloe deltoideodonta Aloe deltoideodonta Others
BXGF05501 Bauhinia purpurea Bauhinia purpurea Medicinal Plant
BXGF05504 Silybum marianum Silybum marianum Medicinal Plant
BXGF05728 Persicaria perfoliata Persicaria perfoliata Medicinal Plant
BXGF05787 Smilax glabra Smilax glabra Medicinal Plant
BXGF05960 Leitneria floridana Leitneria floridana Others
BXGF06124 Notholaena aschenborniana Notholaena aschenborniana Others
BXGF06156 Inula japonica Inula japonica 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