acompound

Showing entry for Apigenin 7-O-glucuronide

General Compound Information
BXGC Id	BXGC0000028
Compound Name	Apigenin 7-O-glucuronide
Structure
Formula	C21H18O11
InchiKey	JBFOLLJCGUCDQP-ZFORQUDYSA-N
SMILES	O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O
Inchi	InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
IUPAC	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
Molecular Weight	446.36
Pubchem Id	5319484
Chembl Id	CHEMBL254213

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

50241345

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	7140	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	62960	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	2600	-	-	-
reviewed	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	1280	-	-

CHEMBL

CHEMBL254213

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	1280	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00071	Globe artichoke	Cynara scolymus	Vegetables
BXGF00888	Echinocereus blanckii	Echinocereus blanckii	Others
BXGF01004	Rabdosia weisiensis	Rabdosia weisiensis	Others
BXGF01139	Alluaudia ascendens	Alluaudia ascendens	Others
BXGF01178	Ledebouria floribunda	Ledebouria floribunda	Others
BXGF01239	Anthemis pseudocotula	Anthemis pseudocotula	Others
BXGF01296	Triticum estivum	Triticum estivum	Others
BXGF01469	Pseudoscleropodium purum	Pseudoscleropodium purum	Others
BXGF01583	Teucrium nuchense	Teucrium nuchense	Others
BXGF01663	Sorbus domestica	Sorbus domestica	Medicinal Plant
BXGF01893	Bonnetia dinizii	Bonnetia dinizii	Others
BXGF01898	Acacia acuminata	Acacia acuminata	Human Edible Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02370	Epimedium pubescens	Epimedium pubescens	Medicinal Plant
BXGF02690	Raukaua simplex	Raukaua simplex	Others
BXGF03160	Baccharis thesioides	Baccharis thesioides	Others
BXGF03547	Physostigma venenosum	Physostigma venenosum	Medicinal Plant
BXGF05065	Kniphofia pumila	Kniphofia pumila	Others
BXGF05240	Centaurea collina	Centaurea collina	Others
BXGF05267	Erigeron annuus	Erigeron annuus	Medicinal Plant
BXGF05282	Achillea serbica	Achillea serbica	Others
BXGF05376	Eschscholzia californica	Eschscholzia californica	Medicinal Plant
BXGF05457	Veronica chamaedrys	Veronica chamaedrys	Medicinal Plant
BXGF05461	Euonymus nanus	Euonymus nanus	Others
BXGF05536	Millingtonia hortensis	Millingtonia hortensis	Medicinal Plant
BXGF05614	Frasera caroliniensis	Frasera caroliniensis	Others
BXGF05703	Sinapis nigra	Sinapis nigra	Medicinal Plant
BXGF05883	Pachyrhizus tuberosus	Pachyrhizus tuberosus	Medicinal Plant
BXGF05894	Vitex agnus-castus	Vitex agnus-castus	Medicinal Plant
BXGF06212	Glycosmis ovoidea	Glycosmis ovoidea	Medicinal Plant
BXGF06233	Myrtopsis novae-caledoniae	Myrtopsis novae-caledoniae	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}