acompound

Showing entry for Kaempferol 3-(p-coumaroyl-glucoside)

General Compound Information
BXGC Id	BXGC0003951
Compound Name	Kaempferol 3-(p-coumaroyl-glucoside)
Structure
Formula	C30H26O13
InchiKey	DVGGLGXQSFURLP-VWMSDXGPSA-N
SMILES	O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H]1O
Inchi	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
IUPAC	[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	594.52
Pubchem Id	5320686
Chembl Id	CHEMBL266564

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

CHEMBL266564

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'<'	200	ug.mL-1
P24135	BXGT008949	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2	reviewed	-	Plcg2	Activity	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	700	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	30	%
P10686	BXGT007601	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed	-	Plcg1	Activity	-	-	-
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'>'	100000	nM
P22513	BXGT008777	Glyceraldehyde-3-phosphate dehydrogenase, glycosomal	reviewed	-		IC50	'='	46000	nM
Q64725	BXGT016130	Tyrosine-protein kinase SYK	reviewed	-	Syk	Activity	-	-	-
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	5468	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	14	%
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'>'	10000	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	134	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	4	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00184	Linden	Tilia	Herbs and Spices
BXGF00224	Rambutan	Nephelium lappaceum	Fruits
BXGF00886	Abutilon theophrasti	Abutilon theophrasti	Medicinal Plant
BXGF00928	Pteris australis	Pteris australis	Others
BXGF01009	Dipsacus asper	Dipsacus asper	Others
BXGF01013	Trichilia hirta	Trichilia hirta	Human Edible Plant
BXGF01046	Coutarea latifolia	Coutarea latifolia	Others
BXGF01090	Rivina humilis	Rivina humilis	Medicinal Plant
BXGF01171	Duguetia calycina	Duguetia calycina	Human Edible Plant
BXGF01233	Citrus hassaku	Citrus hassaku	Others
BXGF01371	Eriostemon spicatus	Eriostemon spicatus	Others
BXGF01402	Phalaris canariensis	Phalaris canariensis	Medicinal Plant
BXGF01492	Jacaranda chelonia	Jacaranda chelonia	Others
BXGF01512	Payena lucida	Payena lucida	Medicinal Plant
BXGF01538	Pteridium aquilinum	Pteridium aquilinum	Medicinal Plant
BXGF01544	Crepidiastrum sonchifolium	Crepidiastrum sonchifolium	Others
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02544	Attalea excelsa	Attalea excelsa	Others
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02692	Plectocephalus chilensis	Plectocephalus chilensis	Others
BXGF02786	Rubus coreanus	Rubus coreanus	Human Edible Plant
BXGF02794	Ephedra aphylla	Ephedra aphylla	Others
BXGF02868	Sideritis nutans	Sideritis nutans	Others
BXGF03233	Plinia cauliflora	Plinia cauliflora	Medicinal Plant
BXGF03671	Leonurus japonicus	Leonurus japonicus	Medicinal Plant
BXGF03749	Marrubium cylleneum	Marrubium cylleneum	Others
BXGF04037	Plumbagella micrantha	Plumbagella micrantha	Medicinal Plant
BXGF04235	Rubus chingii	Rubus chingii	Food Plant
BXGF04460	Tanacetum parthenifolium	Tanacetum parthenifolium	Others
BXGF04904	Samadera indica	Samadera indica	Medicinal Plant
BXGF04969	Xylopia brasiliensis	Xylopia brasiliensis	Others
BXGF05086	Quercus suber	Quercus suber	Medicinal Plant
BXGF05116	Uncaria guianensis	Uncaria guianensis	Medicinal Plant
BXGF05123	Ilex hainanensis	Ilex hainanensis	Others
BXGF05148	Munronia delavayi	Munronia delavayi	Others
BXGF05251	Allium neapolitanum	Allium neapolitanum	Medicinal Plant
BXGF05253	Canarium album	Canarium album	Medicinal Plant
BXGF05317	Melicope sarcococca	Melicope sarcococca	Others
BXGF05342	Cycas armstrongii	Cycas armstrongii	Human Edible Plant
BXGF05395	Cycas revoluta	Cycas revoluta	Medicinal Plant
BXGF05518	Hymenothrix wislizenii	Hymenothrix wislizenii	Others
BXGF05547	Morus rubra	Morus rubra	Medicinal Plant
BXGF05591	Mammillaria magnimamma	Mammillaria magnimamma	Others
BXGF05618	Licaria armeniaca	Licaria armeniaca	Human Edible Plant
BXGF05655	Clematis angustifolia	Clematis angustifolia	Human Edible Plant
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF05692	Potentilla multifida	Potentilla multifida	Medicinal Plant
BXGF05733	Typha domingensis	Typha domingensis	Medicinal Plant
BXGF05793	Greenwayodendron oliveri	Greenwayodendron oliveri	Others
BXGF05866	Garcinia pyrifera	Garcinia pyrifera	Others
BXGF05973	Stenomesson miniatum	Stenomesson miniatum	Others
BXGF06012	Ophryosporus floribundus	Ophryosporus floribundus	Others
BXGF06074	Artemisia lactiflora	Artemisia lactiflora	Medicinal Plant
BXGF06282	Daphne genkwa	Daphne genkwa	Medicinal Plant
BXGF06295	Catalpa ovata	Catalpa ovata	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}