acompound

Showing entry for Epicatechin Pentaacetate

General Compound Information
BXGC Id	BXGC0029829
Compound Name	Epicatechin Pentaacetate
Structure
Formula	C25H24O11
InchiKey	BKYWAYNSDFXIPL-JWQCQUIFSA-N
SMILES	CC(=O)Oc1cc2O[C@H](c3ccc(c(c3)OC(=O)C)OC(=O)C)[C@@H](Cc2c(c1)OC(=O)C)OC(=O)C
Inchi	InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25-/m1/s1
IUPAC	[(2R,3R)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
Molecular Weight	500.13
Pubchem Id	5317058
Chembl Id	CHEMBL2408677

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

50437696

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	BXGT009351	Nitric oxide synthase, endothelial	reviewed		NOS3	-	-	-	0.006

CHEMBL

CHEMBL2408677

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	74	%
Q29RK1	BXGT013982	Citrate synthase, mitochondrial	reviewed	-	CS	Activity	'='	30	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	76	%
Q29RK1	BXGT013982	Citrate synthase, mitochondrial	reviewed	-	CS	Activity	-	-	-
P29473	BXGT009351	Nitric oxide synthase, endothelial	reviewed	-	NOS3	EC50	'='	0	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00149	Peach	Prunus persica	Fruits
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00966	Tristania conferta	Tristania conferta	Others
BXGF00972	Plectranthus myrianthus	Plectranthus myrianthus	Others
BXGF01024	Pentaclethra macrophylla	Pentaclethra macrophylla	Medicinal Plant
BXGF01085	Veronica polita	Veronica polita	Medicinal Plant
BXGF01183	Glycosmis macrophylla	Glycosmis macrophylla	Others
BXGF01253	Stephania zippeliana	Stephania zippeliana	Others
BXGF01329	Eucalyptus apodophylla	Eucalyptus apodophylla	Medicinal Plant
BXGF01416	Hypericum polyanthemum	Hypericum polyanthemum	Others
BXGF01418	Distephanus angulifolius	Distephanus angulifolius	Others
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01548	Campylotropis hirtella	Campylotropis hirtella	Medicinal Plant
BXGF02633	Breonia chinensis	Breonia chinensis	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03518	Mentha cardiaca	Mentha cardiaca	Others
BXGF03637	Rhodiola semenovii	Rhodiola semenovii	Others
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF05170	Crotalaria candicans	Crotalaria candicans	Others
BXGF05385	Eria japonica	Eria japonica	Others
BXGF05427	Salvia sessei	Salvia sessei	Others
BXGF05466	Juniperus drupacea	Juniperus drupacea	Medicinal Plant
BXGF05615	Ceropegia dichotoma	Ceropegia dichotoma	Garden Plant
BXGF05708	Ononis spinosa	Ononis spinosa	Medicinal Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF05903	Crinum moorei	Crinum moorei	Others
BXGF05913	Eucalyptus globulus subsp. bicostata	Eucalyptus globulus subsp. bicostata	Medicinal Plant
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06119	Gypsophila perfoliata	Gypsophila perfoliata	Others
BXGF06195	Pterocaulon virgatum	Pterocaulon virgatum	Medicinal Plant
BXGF06241	Vernonia cistifolia	Vernonia cistifolia	Others
BXGF06274	Sonneratia caseolaris	Sonneratia caseolaris	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}