acompound

Showing entry for (2S,3S)-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3,5,7-Triol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044013
Compound Name	(2S,3S)-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3,5,7-Triol
Structure
Formula	C15H14O7
InchiKey	XMOCLSLCDHWDHP-WFASDCNBSA-N
SMILES	Oc1cc2O[C@@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O
Inchi	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1
IUPAC	(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Weight	306.07
Pubchem Id	10425234
Chembl Id	CHEMBL130415

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

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	2400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF01283	Crataegus pinnatifida	Crataegus pinnatifida	Medicinal Plant
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF03398	Solanum nigrum	Solanum nigrum	Medicinal Plant
BXGF03766	Drynaria fortunei	Drynaria fortunei	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05269	Hypericum perforatum	Hypericum perforatum	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}