acompound

Showing entry for Quercetin-3-O-Rhamnoside

General Compound Information
BXGC Id	BXGC0016154
Compound Name	Quercetin-3-O-Rhamnoside
Structure
Formula	C21H20O11
InchiKey	OXGUCUVFOIWWQJ-JHPRLSDPSA-N
SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m1/s1
IUPAC	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular Weight	448.1
Pubchem Id	15939939
Chembl Id	CHEMBL2262641

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

50129557

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	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	>10000	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	6368	-	-	-
reviewed	BXGT008802	Carbonic anhydrase 4	reviewed		CA4	67	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	3.9	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	44	-	-	-

CHEMBL

CHEMBL2262641

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
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	43	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	3	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'='	70	%
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'>'	10000	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	6367	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	67	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00218	Longan	Dimocarpus longan	Fruits
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	Medicinal Plant
BXGF02620	Rosa chinensis	Rosa chinensis	Medicinal Plant
BXGF02867	Abies bifolia	Abies bifolia	Human Edible Plant
BXGF02912	Ficus nervosa	Ficus nervosa	Human Edible Plant
BXGF02920	Griselinia littoralis	Griselinia littoralis	Medicinal Plant
BXGF02937	Senecio scandens	Senecio scandens	Medicinal Plant
BXGF03154	Helietta longifoliata	Helietta longifoliata	Others
BXGF03188	Melilotus tauricus	Melilotus tauricus	Others
BXGF03198	Stevia aristata	Stevia aristata	Others
BXGF03212	Curarea candicans	Curarea candicans	Others
BXGF03244	Acrotrema uniflorum	Acrotrema uniflorum	Others
BXGF03275	Rhamnus lotus	Rhamnus lotus	Others
BXGF03449	Spirotropis longifolia	Spirotropis longifolia	Others
BXGF03495	Gentiana germanica	Gentiana germanica	Medicinal Plant
BXGF04391	Prosopis spicigera	Prosopis spicigera	Medicinal Plant
BXGF04418	Drymaria cordata	Drymaria cordata	Medicinal Plant
BXGF04475	Caralluma stalagmifera	Caralluma stalagmifera	Others
BXGF04514	Ageratina tomentella	Ageratina tomentella	Others
BXGF04561	Anisopappus pinnatifidus	Anisopappus pinnatifidus	Others
BXGF04629	Rubus xanthocarpus	Rubus xanthocarpus	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05612	Solanum giganteum	Solanum giganteum	Medicinal Plant
BXGF05675	Licania pittieri	Licania pittieri	Others
BXGF06142	Euthamia graminifolia	Euthamia graminifolia	Medicinal Plant
BXGF06228	Ixeris tamagawaensis	Ixeris tamagawaensis	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}