acompound

Showing entry for Apigenin 7-O-beta-D-rutinoside

General Compound Information
BXGC Id	BXGC0004123
Compound Name	Apigenin 7-O-beta-D-rutinoside
Structure
Formula	C27H30O14
InchiKey	RPMNUQRUHXIGHK-PYXJVEIZSA-N
SMILES	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
Inchi	InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
IUPAC	7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Molecular Weight	578.52
Pubchem Id	5282150
Chembl Id	CHEMBL395990

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

CHEMBL395990

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	'='	20	%
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	12	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	27	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	203	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-2	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	101	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00110	Orange mint	Mentha aquatica	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03766	Drynaria fortunei	Drynaria fortunei	Medicinal Plant
BXGF05119	Rheedia acuminata	Rheedia acuminata	Human Edible Plant
BXGF05136	Acacia aulacocarpa	Acacia aulacocarpa	Others
BXGF05164	Aspidosperma subincanum	Aspidosperma subincanum	Medicinal Plant
BXGF05323	Ardisia neriifolia	Ardisia neriifolia	Others
BXGF05343	Psiadia dentata	Psiadia dentata	Others
BXGF05407	Peritassa compta	Peritassa compta	Others
BXGF05415	Eupatorium argentinum	Eupatorium argentinum	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05511	Acorus gramineus	Acorus gramineus	Medicinal Plant
BXGF05609	Cryptocarya aschersoniana	Cryptocarya aschersoniana	Others
BXGF05631	Turpinia arguta	Turpinia arguta	Others
BXGF05668	Dolichos lablab l	Dolichos lablab l	Others
BXGF05707	Juniperus brevifolia	Juniperus brevifolia	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05865	Guatteria boliviana	Guatteria boliviana	Others
BXGF06020	Anemone flaccida	Anemone flaccida	Medicinal Plant
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	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}