acompound

Showing entry for Glucocapangulin

General Compound Information
BXGC Id	BXGC0003072
Compound Name	Glucocapangulin
Structure
Formula	C21H20O10
InchiKey	HSWIRQIYASIOBE-JNHRPPPUSA-N
SMILES	[H][C@]1(CO)O[C@@]([H])(OC2=CC(O)=CC3=C2C(=O)C2=C(C=C(C)C=C2O)C3=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
Inchi	InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
IUPAC	1,6-dihydroxy-3-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
Molecular Weight	432.38
Pubchem Id	99649
Chembl Id	CHEMBL464360

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

50366683

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	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	18000	-	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	20000	-	-
reviewed	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	62000	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	5700	-	-	-

CHEMBL

CHEMBL464360

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
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	'='	62000	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Ki	'='	18000	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Control	'<'	118	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Control	'<'	118	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Control	'<'	159	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Control	'<'	159	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Ki	'='	5700	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Control	'<'	113	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Control	'<'	113	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	'='	20000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00039	Capers	Capparis spinosa	Herbs and Spices
BXGF00459	Wax gourd	Benincasa hispida	Gourds
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF00892	Leptocereus quadricostatus	Leptocereus quadricostatus	Others
BXGF00919	Chaiturus marrubiastrum	Chaiturus marrubiastrum	Others
BXGF00981	Flacourtia jangomas	Flacourtia jangomas	Medicinal Plant
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	Medicinal Plant
BXGF01187	Onobrychis arenaria	Onobrychis arenaria	Others
BXGF01223	Eria mollis	Eria mollis	Others
BXGF01302	Dysoxylum cumingianum	Dysoxylum cumingianum	Others
BXGF01311	Aizopsis selskiana	Aizopsis selskiana	Others
BXGF01344	Psychotria stachyoides	Psychotria stachyoides	Others
BXGF01391	Dodonaea viscosa	Dodonaea viscosa	Medicinal Plant
BXGF01568	Teucrium yemense	Teucrium yemense	Others
BXGF01570	Pinalia stricta	Pinalia stricta	Others
BXGF01623	Amphorogyne spicata	Amphorogyne spicata	Others
BXGF01641	Neobalanocarpus heimii	Neobalanocarpus heimii	Others
BXGF01683	Aconitum tasiromontanum	Aconitum tasiromontanum	Others
BXGF01695	Tanacetum coccineum	Tanacetum coccineum	Medicinal Plant
BXGF01764	Dendriopoterium menendezii	Dendriopoterium menendezii	Others
BXGF01794	Adansonia grandidieri	Adansonia grandidieri	Human Edible Plant
BXGF01799	Mandragora autumnalis	Mandragora autumnalis	Medicinal Plant
BXGF01812	Physalis alkekengi	Physalis alkekengi	Medicinal Plant
BXGF01836	Aphyllocladus denticulatus	Aphyllocladus denticulatus	Others
BXGF01850	Bassia muricata	Bassia muricata	Medicinal Plant
BXGF01931	Dalbergia lanceolaria subsp. paniculata	Dalbergia lanceolaria subsp. paniculata	Medicinal Plant
BXGF01947	Senecio subdentatus	Senecio subdentatus	Others
BXGF02006	Aconitum seravschanicum	Aconitum seravschanicum	Others
BXGF02037	Carduus tenuiflorus	Carduus tenuiflorus	Others
BXGF02203	Verbascum thapsiforme	Verbascum thapsiforme	Medicinal Plant
BXGF02289	Rhododendron dahuricum	Rhododendron dahuricum	Others
BXGF02387	Salvia greggii	Salvia greggii	Medicinal Plant
BXGF02503	Balanophora laxiflora	Balanophora laxiflora	Others
BXGF02576	Anaphalis lactea	Anaphalis lactea	Others
BXGF02632	Metrodorea nigra	Metrodorea nigra	Others
BXGF02814	Senecio praecox	Senecio praecox	Others
BXGF02853	Anchusa azurea	Anchusa azurea	Medicinal Plant
BXGF02880	Nepeta granatensis	Nepeta granatensis	Others
BXGF02900	Gleichenia quadripartita	Gleichenia quadripartita	Others
BXGF02932	Dipsacus azureus	Dipsacus azureus	Others
BXGF02958	Jacquemontia paniculata	Jacquemontia paniculata	Others
BXGF02993	Caulerpa peltata	Caulerpa peltata	Human Edible Plant
BXGF03028	Lespedeza tomentosa	Lespedeza tomentosa	Medicinal Plant
BXGF03042	Rosa pomifera	Rosa pomifera	Human Edible Plant
BXGF03064	Degenia velebitica	Degenia velebitica	Others
BXGF03077	Albizia myriophylla	Albizia myriophylla	Medicinal Plant
BXGF03088	Erythrophleum ivorense	Erythrophleum ivorense	Medicinal Plant
BXGF03114	Delphinium virgatum	Delphinium virgatum	Others
BXGF03135	Grangea maderaspatana	Grangea maderaspatana	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03167	Tagetes filifolia	Tagetes filifolia	Medicinal Plant
BXGF03217	Delphinium nuttallianum	Delphinium nuttallianum	Others
BXGF03251	Lupinus corymbosus	Lupinus corymbosus	Others
BXGF03298	Senecio behnii	Senecio behnii	Others
BXGF03317	Dillenia indica	Dillenia indica	Medicinal Plant
BXGF03436	Photinia serratifolia	Photinia serratifolia	Medicinal Plant
BXGF03485	Justicia secunda	Justicia secunda	Others
BXGF03512	Helichrysum chionosphaerum	Helichrysum chionosphaerum	Medicinal Plant
BXGF04205	Aster sedifolius	Aster sedifolius	Others
BXGF04229	Petunia integrifolia subsp. inflata	Petunia integrifolia subsp. inflata	Others
BXGF04340	Quercus rubra	Quercus rubra	Medicinal Plant
BXGF05018	Lavandula vera	Lavandula vera	Medicinal Plant
BXGF05022	rumex plants	rumex plants	Others
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF06011	Enceliopsis argophylla	Enceliopsis argophylla	Others
BXGF06281	Miliusa velutina	Miliusa velutina	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}