acompound

Showing entry for Lonicerin

General Compound Information
BXGC Id	BXGC0014512
Compound Name	Lonicerin
Structure
Formula	C27H30O15
InchiKey	SHPPXMGVUDNKLV-KMFFXDMSSA-N
SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Inchi	InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,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]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
Molecular Weight	594.16
Pubchem Id	5282152
Chembl Id	CHEMBL452979

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

50242285

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	11900	-	-

CHEMBL

CHEMBL452979

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
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	20	%
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	11900	nM

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
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02393	Lonicera macranthoides	Lonicera macranthoides	Medicinal Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF02800	Aria rostellata	Aria rostellata	Others
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03240	Lonicera hypoglauca	Lonicera hypoglauca	Medicinal Plant
BXGF03766	Drynaria fortunei	Drynaria fortunei	Medicinal Plant
BXGF03889	Lonicera fulvotomentosa	Lonicera fulvotomentosa	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04919	Lonicera dasystyla	Lonicera dasystyla	Others
BXGF04927	Lonicera confuse	Lonicera confuse	Others
BXGF05119	Rheedia acuminata	Rheedia acuminata	Human Edible Plant
BXGF05136	Acacia aulacocarpa	Acacia aulacocarpa	Others
BXGF05164	Aspidosperma subincanum	Aspidosperma subincanum	Medicinal Plant
BXGF05304	Lonicera confusa	Lonicera confusa	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
BXGF05609	Cryptocarya aschersoniana	Cryptocarya aschersoniana	Others
BXGF05707	Juniperus brevifolia	Juniperus brevifolia	Others
BXGF05865	Guatteria boliviana	Guatteria boliviana	Others
BXGF06020	Anemone flaccida	Anemone flaccida	Medicinal Plant
BXGF06284	Panzerina lanata	Panzerina lanata	Others

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}