acompound

Showing entry for Urolignoside

General Compound Information
BXGC Id	BXGC0028764
Compound Name	Urolignoside
Structure
Formula	C26H34O11
InchiKey	NYAPVWGUAUDHRY-KUCLMONLSA-N
SMILES	OCCCc1cc(OC)c2c(c1)[C@H](CO)[C@H](O2)c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24+,26+/m0/s1
IUPAC	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
Molecular Weight	522.21
Pubchem Id	10602086
Chembl Id	CHEMBL2336751

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

CHEMBL2336751

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
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	IC50	'='	3600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01196	Elaeagnus commutata	Elaeagnus commutata	Medicinal Plant
BXGF01215	Cirsium setosum	Cirsium setosum	Medicinal Plant
BXGF01263	Adenopeltis colliguaya	Adenopeltis colliguaya	Others
BXGF01372	Quercus mongolica	Quercus mongolica	Medicinal Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01446	Perityle vaseyi	Perityle vaseyi	Others
BXGF01566	Pedicularis condensata	Pedicularis condensata	Others
BXGF01605	Palafoxia rosea	Palafoxia rosea	Others
BXGF01643	Chrozophora obliqua	Chrozophora obliqua	Medicinal Plant
BXGF01717	Senecio flavus	Senecio flavus	Medicinal Plant
BXGF01749	Salvia coulteri	Salvia coulteri	Others
BXGF01855	Porella swartziana	Porella swartziana	Others
BXGF01948	Meconopsis napaulensis	Meconopsis napaulensis	Medicinal Plant
BXGF01968	Rheum webbianum	Rheum webbianum	Medicinal Plant
BXGF01999	Mascarenhasia arborescens	Mascarenhasia arborescens	Others
BXGF02029	Eucalyptus flocktoniae	Eucalyptus flocktoniae	Others
BXGF02057	Kummerowia striata	Kummerowia striata	Medicinal Plant
BXGF02112	Thymbra spicata	Thymbra spicata	Medicinal Plant
BXGF02135	Phoebe formosana	Phoebe formosana	Others
BXGF02153	Sida cordifolia	Sida cordifolia	Medicinal Plant
BXGF02258	Millettia conraui	Millettia conraui	Medicinal Plant
BXGF02278	Centaurea seridis	Centaurea seridis	Others
BXGF02309	Flindersia brayleyana	Flindersia brayleyana	Others
BXGF02335	Satureja cuneifolia	Satureja cuneifolia	Human Edible Plant
BXGF02358	Consolida ajacis	Consolida ajacis	Medicinal Plant
BXGF03623	Heracleum sphondylium	Heracleum sphondylium	Medicinal Plant
BXGF03666	Bituminaria bituminosa	Bituminaria bituminosa	Medicinal Plant
BXGF03889	Lonicera fulvotomentosa	Lonicera fulvotomentosa	Medicinal Plant
BXGF03967	Helichrysum italicum	Helichrysum italicum	Medicinal Plant
BXGF04140	Dalbergia stipulacea	Dalbergia stipulacea	Medicinal Plant
BXGF05027	dracocephalum ruyschiana	dracocephalum ruyschiana	Others
BXGF05080	Jungermannia obovata	Jungermannia obovata	Others
BXGF05394	Turraeanthus mannii	Turraeanthus mannii	Others
BXGF05405	Berberis japonica	Berberis japonica	Others
BXGF05430	Coleus garckeanus	Coleus garckeanus	Others
BXGF05490	Solanum sisymbriifolium	Solanum sisymbriifolium	Medicinal Plant
BXGF05519	Gerbera piloselloides	Gerbera piloselloides	Medicinal Plant
BXGF05849	Salacia chinensis	Salacia chinensis	Medicinal Plant
BXGF05993	Isodon nervosus	Isodon nervosus	Others
BXGF06017	Isodon xerophilus	Isodon xerophilus	Others
BXGF06285	Merremia umbellata	Merremia umbellata	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}