acompound

Showing entry for Bergenin

General Compound Information
BXGC Id	BXGC0014682
Compound Name	Bergenin
Structure
Formula	C14H16O9
InchiKey	YWJXCIXBAKGUKZ-HJJNZUOJSA-N
SMILES	OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC
Inchi	InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
IUPAC	(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Molecular Weight	328.08
Pubchem Id	66065
Chembl Id	CHEMBL273019

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

50349518

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	BXGT005956	Serum albumin	reviewed		ALB	-	163600	-	-

CHEMBL

CHEMBL273019

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	0	%
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	Inhibition	'='	20	%
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	50118	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	7	%
P01375	BXGT005753	Tumor necrosis factor	reviewed	Signaling	TNF	IC50	'='	12500	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	14	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	0	%
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	Inhibition	-	-	-
Q9Y6K9	BXGT022333	NF-kappa-B essential modulator	reviewed	Kinase	IKBKG	Inhibition	-	-	-
O15111	BXGT004126	Inhibitor of nuclear factor kappa-B kinase subunit alpha	reviewed	Kinase	CHUK	Inhibition	-	-	-
O14920	BXGT004110	Inhibitor of nuclear factor kappa-B kinase subunit beta	reviewed	Kinase	IKBKB	Inhibition	-	-	-
P05231	BXGT006345	Interleukin-6	reviewed	-	IL6	IC50	'='	208	nM
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	IC50	'='	163600	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	100000	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	94	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00852	Triaenophora rupestris	Triaenophora rupestris	Others
BXGF00926	Larix cajanderi	Larix cajanderi	Others
BXGF01010	Sextonia rubra	Sextonia rubra	Others
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF01264	Cedrus libani	Cedrus libani	Medicinal Plant
BXGF01297	Justicia paniculata	Justicia paniculata	Medicinal Plant
BXGF01340	Khaya ivorensis	Khaya ivorensis	Medicinal Plant
BXGF01341	Trachelospermum jasminoides	Trachelospermum jasminoides	Medicinal Plant
BXGF01425	Craspidospermum verticillatum	Craspidospermum verticillatum	Others
BXGF01472	Cerinthe minor	Cerinthe minor	Others
BXGF01502	Ixeris stolonifera	Ixeris stolonifera	Medicinal Plant
BXGF01535	Cephalaria grossheimii	Cephalaria grossheimii	Others
BXGF01638	Lotus japonicus	Lotus japonicus	Others
BXGF01679	Melaleuca rhaphiophylla	Melaleuca rhaphiophylla	Others
BXGF01726	Senecio renardii	Senecio renardii	Medicinal Plant
BXGF01760	Hypericum ascyron	Hypericum ascyron	Medicinal Plant
BXGF01789	Aristolochia zollingeriana	Aristolochia zollingeriana	Others
BXGF01910	Trachelospermum asiaticum	Trachelospermum asiaticum	Medicinal Plant
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02770	Psychotria klugii	Psychotria klugii	Others
BXGF02939	Saxifraga stolonifera	Saxifraga stolonifera	Medicinal Plant
BXGF03230	Ehretia dicksonii	Ehretia dicksonii	Medicinal Plant
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04094	Virola multinervia	Virola multinervia	Medicinal Plant
BXGF04280	Ardisia crenata	Ardisia crenata	Medicinal Plant
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	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}