acompound

Showing entry for Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside

General Compound Information
BXGC Id	BXGC0001167
Compound Name	Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside
Structure
Formula	C21H20O11
InchiKey	ODBRNZZJSYPIDI-VJXVFPJBSA-N
SMILES	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
Inchi	InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
IUPAC	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Molecular Weight	448.38
Pubchem Id	114776
Chembl Id	CHEMBL239559

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

CHEMBL239559

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
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	31622	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	25	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	23	%
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	39810	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	39810	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	39810	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	17740	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	19952	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	19952	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	79432	nM
Q9H0H5	BXGT020436	Rac GTPase-activating protein 1	reviewed	Enzyme modulator	RACGAP1	IC50	-	40920	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	18348	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	31622	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	31622	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	22387	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	44668	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-4	%
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	44668	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	19952	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	44668	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	28183	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	3162	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	1910	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	22387	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	28183	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00186	Fenugreek	Trigonella foenum-graecum	Herbs and Spices
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00957	Allagopappus viscosissimus	Allagopappus viscosissimus	Others
BXGF01059	Adenia volkensii	Adenia volkensii	Medicinal Plant
BXGF01141	Barbacenia flava	Barbacenia flava	Others
BXGF01173	Astragalus spinosus	Astragalus spinosus	Others
BXGF01235	Swertia decussata	Swertia decussata	Medicinal Plant
BXGF01269	Peltogyne pubescens	Peltogyne pubescens	Others
BXGF01321	Ranunculus peltatus	Ranunculus peltatus	Others
BXGF01336	Baccharis angustifolia	Baccharis angustifolia	Others
BXGF01349	Hydrangea serrata	Hydrangea serrata	Medicinal Plant
BXGF01437	Lunularia cruciata	Lunularia cruciata	Others
BXGF01530	Lophatherum gracile	Lophatherum gracile	Medicinal Plant
BXGF01653	Iris pallasii	Iris pallasii	Others
BXGF01762	Persea kusanoi	Persea kusanoi	Others
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF01841	Cedronella canariensis	Cedronella canariensis	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF02121	Humata pectinata	Humata pectinata	Others
BXGF02251	Pyrrosia lingua	Pyrrosia lingua	Medicinal Plant
BXGF02262	Pyrrosia tricuspis	Pyrrosia tricuspis	Others
BXGF02481	Prunella vulgaris	Prunella vulgaris	Medicinal Plant
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02623	Physalis edulis	Physalis edulis	Others
BXGF02681	Ficus microcarpa	Ficus microcarpa	Medicinal Plant
BXGF02687	Papaver tatricum	Papaver tatricum	Others
BXGF02841	Gleditsia caspica	Gleditsia caspica	Medicinal Plant
BXGF02964	Drypetes molunduana	Drypetes molunduana	Others
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03164	Patrinia scabiosifolia	Patrinia scabiosifolia	Medicinal Plant
BXGF03451	Flacourtia indica	Flacourtia indica	Medicinal Plant
BXGF03500	Croton megistocarpus	Croton megistocarpus	Others
BXGF03516	Gentiana macrophylla	Gentiana macrophylla	Medicinal Plant
BXGF03721	Lysimachia christinae	Lysimachia christinae	Medicinal Plant
BXGF03731	Rosulabryum capillare	Rosulabryum capillare	Others
BXGF03762	Pyrrosia petiolosa	Pyrrosia petiolosa	Medicinal Plant
BXGF03774	Citrus rugulosa	Citrus rugulosa	Others
BXGF04007	Bistorta vivipara	Bistorta vivipara	Medicinal Plant
BXGF04060	Aglaia australiensis	Aglaia australiensis	Others
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04080	Persicaria orientalis	Persicaria orientalis	Medicinal Plant
BXGF04200	Euphorbia hirta	Euphorbia hirta	Medicinal Plant
BXGF04274	Macadamia ternifolia	Macadamia ternifolia	Medicinal Plant
BXGF04297	Tinospora crispa	Tinospora crispa	Medicinal Plant
BXGF04329	Swertia swertopsis	Swertia swertopsis	Others
BXGF04337	Premna tomentosa	Premna tomentosa	Medicinal Plant
BXGF04348	Sagittaria sagittifolia	Sagittaria sagittifolia	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	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
BXGF04518	Calophyllum apetalum	Calophyllum apetalum	Medicinal Plant
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF04557	Consolida oliveriana	Consolida oliveriana	Others
BXGF04569	Polygala fallax	Polygala fallax	Others
BXGF04601	Lophozia barbata	Lophozia barbata	Others
BXGF04634	Pygeum topengii	Pygeum topengii	Others
BXGF04650	Monnina emarginata	Monnina emarginata	Others
BXGF04693	Pyrus calleryana	Pyrus calleryana	Medicinal Plant
BXGF04705	Abrus precatorius	Abrus precatorius	Medicinal Plant
BXGF04729	Wettsteinia inversa	Wettsteinia inversa	Others
BXGF04744	Euphorbia makinoi	Euphorbia makinoi	Others
BXGF04843	Brickellia vernicosa	Brickellia vernicosa	Others
BXGF04850	Macaranga peltata	Macaranga peltata	Medicinal Plant
BXGF05038	Hymenoxys scaposa	Hymenoxys scaposa	Others
BXGF05041	Desmodium styracifolium	Desmodium styracifolium	Medicinal Plant
BXGF05050	Diplacus longiflorus	Diplacus longiflorus	Others
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	Medicinal Plant
BXGF05129	Achillea pseudopectinata	Achillea pseudopectinata	Others
BXGF05258	Geranium sibiricum	Geranium sibiricum	Medicinal Plant
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05301	Baphicacanthus cusia	Baphicacanthus cusia	Medicinal Plant
BXGF05303	Lagerstroemia indica	Lagerstroemia indica	Medicinal Plant
BXGF05328	Syzygium nervosum	Syzygium nervosum	Human Edible Plant
BXGF05366	Lepidosperma ustulatum	Lepidosperma ustulatum	Others
BXGF05397	Centaurea hermannii	Centaurea hermannii	Others
BXGF05408	Cecropia pachystachya	Cecropia pachystachya	Human Edible Plant
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05678	Dunalia solanacea	Dunalia solanacea	Others
BXGF05749	Kali turgidum	Kali turgidum	Medicinal Plant
BXGF05761	Berberis floribunda	Berberis floribunda	Medicinal Plant
BXGF05820	Jamesoniella colorata	Jamesoniella colorata	Medicinal Plant
BXGF05826	Crataegus monogyna	Crataegus monogyna	Medicinal Plant
BXGF05875	Fumaria micrantha	Fumaria micrantha	Others
BXGF05878	Senecio isatideus	Senecio isatideus	Others
BXGF05935	Pterodon emarginatus	Pterodon emarginatus	Others
BXGF05948	Berlinia tomentosa	Berlinia tomentosa	Others
BXGF06014	Cymodocea nodosa	Cymodocea nodosa	Others
BXGF06077	Bonamia spectabilis	Bonamia spectabilis	Others
BXGF06129	Atuna racemosa	Atuna racemosa	Human Edible Plant
BXGF06143	Persicaria tinctoria	Persicaria tinctoria	Medicinal Plant
BXGF06145	Euphorbia clarkeana	Euphorbia clarkeana	Others
BXGF06148	Patrinia villosa	Patrinia villosa	Medicinal Plant
BXGF06180	Astragalus pycnanthus	Astragalus pycnanthus	Others
BXGF06223	Pulsatilla campanella	Pulsatilla campanella	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}