acompound

General Compound Information
BXGC Id	BXGC0029289
Compound Name	2,4-Di-O-(E-p-coumaroyl)afzelin
Structure
Formula	C39H32O14
InchiKey	KMOHJUXDKSMQOG-NCLAQALISA-N
SMILES	Oc1ccc(cc1)/C=C/C(=O)O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)OC(=O)/C=C/c1ccc(cc1)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O
Inchi	InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38+,39-/m0/s1
IUPAC	[(2S,3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	724.18
Pubchem Id	11765457
Chembl Id	CHEMBL1642586

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
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	Inhibition	-	-	-
P98170	BXGT012231	E3 ubiquitin-protein ligase XIAP	reviewed	Enzyme modulator	XIAP	IC50	'>'	10400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF01032	Osmorhiza aristata	Osmorhiza aristata	Medicinal Plant
BXGF01121	Litsea salicifolia	Litsea salicifolia	Human Edible Plant
BXGF01162	Stipa vaseyi	Stipa vaseyi	Others
BXGF01313	Cleistopholis staudtii	Cleistopholis staudtii	Others
BXGF01430	Leuzea centauroides	Leuzea centauroides	Others
BXGF02987	Pycnandra acuminata	Pycnandra acuminata	Others
BXGF03101	Psychotria serpens	Psychotria serpens	Medicinal Plant
BXGF03337	Acer carpinifolium	Acer carpinifolium	Medicinal Plant
BXGF04157	Hypericum revolutum	Hypericum revolutum	Medicinal Plant
BXGF05256	Scabiosa succisa	Scabiosa succisa	Medicinal Plant
BXGF05334	Helleborus multifidus	Helleborus multifidus	Others
BXGF05403	Dipteryx odorata	Dipteryx odorata	Medicinal Plant
BXGF05623	Mesembryanthemum expansum	Mesembryanthemum expansum	Medicinal Plant
BXGF05642	Echinacea pallida	Echinacea pallida	Medicinal Plant
BXGF05734	Artemisia ludoviciana subsp. mexicana	Artemisia ludoviciana subsp. mexicana	Medicinal Plant
BXGF05737	Galium dasypodum	Galium dasypodum	Others
BXGF05924	Helichrysum lepidissimum	Helichrysum lepidissimum	Medicinal Plant
BXGF06060	Hopea utilis	Hopea utilis	Medicinal Plant
BXGF06216	Vernonia anisochaetoides	Vernonia anisochaetoides	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}