acompound

Showing entry for Quercetin-3-Beta-Robinobioside

General Compound Information
BXGC Id	BXGC0042599
Compound Name	Quercetin-3-Beta-Robinobioside
Structure
Formula	C27H30O16
InchiKey	IKGXIBQEEMLURG-IEBISRBZSA-N
SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,23+,26+,27-/m0/s1
IUPAC	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Weight	610.15
Pubchem Id	10371536
Chembl Id	CHEMBL3735346

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

CHEMBL3735346

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
Q14469	BXGT013473	Transcription factor HES-1	reviewed	Transcription factor	HES1	IC50	'='	35800	nM
Q9NPI8	BXGT021161	Fanconi anemia group F protein	reviewed	-	FANCF	IC50	'='	35800	nM
Q14469	BXGT013473	Transcription factor HES-1	reviewed	Transcription factor	HES1	Inhibition	'='	40	%
Q9NPI8	BXGT021161	Fanconi anemia group F protein	reviewed	-	FANCF	Inhibition	'='	40	%
Q14469	BXGT013473	Transcription factor HES-1	reviewed	Transcription factor	HES1	IC50	'>'	100000	nM
Q14469	BXGT013473	Transcription factor HES-1	reviewed	Transcription factor	HES1	Inhibition	-	-	-
Q9NPI8	BXGT021161	Fanconi anemia group F protein	reviewed	-	FANCF	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00901	Ipomoea muricata	Ipomoea muricata	Medicinal Plant
BXGF01283	Crataegus pinnatifida	Crataegus pinnatifida	Medicinal Plant
BXGF01841	Cedronella canariensis	Cedronella canariensis	Medicinal Plant
BXGF02121	Humata pectinata	Humata pectinata	Others
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF02623	Physalis edulis	Physalis edulis	Others
BXGF02841	Gleditsia caspica	Gleditsia caspica	Medicinal Plant
BXGF03572	Calicotome villosa	Calicotome villosa	Medicinal Plant
BXGF04007	Bistorta vivipara	Bistorta vivipara	Medicinal Plant
BXGF04329	Swertia swertopsis	Swertia swertopsis	Others
BXGF04337	Premna tomentosa	Premna tomentosa	Medicinal Plant
BXGF04348	Sagittaria sagittifolia	Sagittaria sagittifolia	Medicinal Plant
BXGF04359	Cunonia macrophylla	Cunonia macrophylla	Medicinal Plant
BXGF04367	Tsuga chinensis	Tsuga chinensis	Medicinal Plant
BXGF04369	Taxus brevifolia	Taxus brevifolia	Medicinal Plant
BXGF04373	Virgilia divaricata	Virgilia divaricata	Others
BXGF04378	Entada rheedei	Entada rheedei	Medicinal Plant
BXGF04394	Aucuba chinensis	Aucuba chinensis	Others
BXGF04398	Utricularia australis	Utricularia australis	Others
BXGF04403	Amsinckia tessellata	Amsinckia tessellata	Others
BXGF04404	Carica dodecaphylla	Carica dodecaphylla	Others
BXGF04406	Citrus tangerina	Citrus tangerina	Human Edible Plant
BXGF04411	Crocus minimus	Crocus minimus	Human Edible Plant
BXGF04414	Curculigo pilosa	Curculigo pilosa	Medicinal Plant
BXGF04416	Sideritis euboea	Sideritis euboea	Others
BXGF04423	Osteospermum muricatum	Osteospermum muricatum	Others
BXGF04425	Centaurea huber-morathii	Centaurea huber-morathii	Others
BXGF04429	Sisyrinchium californicum	Sisyrinchium californicum	Others
BXGF04432	Saussurea amara	Saussurea amara	Others
BXGF04439	Lysiana subfalcata	Lysiana subfalcata	Human Edible Plant
BXGF04441	Haplophyllum ramosissimum	Haplophyllum ramosissimum	Others
BXGF04446	Peperomia vulcanica	Peperomia vulcanica	Medicinal Plant
BXGF04456	Sorbus tianschanica	Sorbus tianschanica	Medicinal Plant
BXGF04463	Platycarya strobilacea	Platycarya strobilacea	Medicinal Plant
BXGF04474	Helichrysum mixtum	Helichrysum mixtum	Others
BXGF04478	Cynometra lujae	Cynometra lujae	Others
BXGF04482	Aspalathus linearis	Aspalathus linearis	Medicinal Plant
BXGF04486	Eupatorium areolare	Eupatorium areolare	Others
BXGF04492	Stephania elegans	Stephania elegans	Medicinal Plant
BXGF04595	Abelmoschus manihot	Abelmoschus manihot	Medicinal Plant
BXGF04843	Brickellia vernicosa	Brickellia vernicosa	Others
BXGF04850	Macaranga peltata	Macaranga peltata	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04910	Spinulum annotinum	Spinulum annotinum	Medicinal Plant
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05749	Kali turgidum	Kali turgidum	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF06273	Parablechnum minus	Parablechnum minus	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}