acompound

Showing entry for Rhapontin

General Compound Information
BXGC Id	BXGC0053764
Compound Name	Rhapontin
Structure
Formula	C21H24O9
InchiKey	GKAJCVFOJGXVIA-DXKBKAGUSA-N
SMILES	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)OC)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
IUPAC	(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	420.14
Pubchem Id	637213
Chembl Id	CHEMBL109266

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

CHEMBL109266

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	166	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-3	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	100	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-4	%
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	18	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	FC	'='	1	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	FC	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00459	Wax gourd	Benincasa hispida	Gourds
BXGF00892	Leptocereus quadricostatus	Leptocereus quadricostatus	Others
BXGF00919	Chaiturus marrubiastrum	Chaiturus marrubiastrum	Others
BXGF01187	Onobrychis arenaria	Onobrychis arenaria	Others
BXGF01311	Aizopsis selskiana	Aizopsis selskiana	Others
BXGF01570	Pinalia stricta	Pinalia stricta	Others
BXGF01623	Amphorogyne spicata	Amphorogyne spicata	Others
BXGF01695	Tanacetum coccineum	Tanacetum coccineum	Medicinal Plant
BXGF01799	Mandragora autumnalis	Mandragora autumnalis	Medicinal Plant
BXGF01931	Dalbergia lanceolaria subsp. paniculata	Dalbergia lanceolaria subsp. paniculata	Medicinal Plant
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
BXGF03512	Helichrysum chionosphaerum	Helichrysum chionosphaerum	Medicinal Plant
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF04229	Petunia integrifolia subsp. inflata	Petunia integrifolia subsp. inflata	Others
BXGF04340	Quercus rubra	Quercus rubra	Medicinal Plant
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF05936	Commelina communis	Commelina communis	Medicinal Plant
BXGF06095	Rheum undulatum	Rheum undulatum	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}