acompound

General Compound Information
BXGC Id	BXGC0017673
Compound Name	Acaciin
Structure
Formula	C28H32O14
InchiKey	YFVGIJBUXMQFOF-PJOVQGMDSA-N
SMILES	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)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
Inchi	InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
IUPAC	5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,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	592.18
Pubchem Id	5317025
Chembl Id	CHEMBL509502

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

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
P18266	BXGT008394	Glycogen synthase kinase-3 beta	reviewed	-	Gsk3b	Activity	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	15	%
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	Inhibition	-	-	-
P47196	BXGT010567	RAC-alpha serine/threonine-protein kinase	reviewed	-	Akt1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01178	Ledebouria floribunda	Ledebouria floribunda	Others
BXGF01184	Buddleja officinalis	Buddleja officinalis	Medicinal Plant
BXGF01215	Cirsium setosum	Cirsium setosum	Medicinal Plant
BXGF01239	Anthemis pseudocotula	Anthemis pseudocotula	Others
BXGF01296	Triticum estivum	Triticum estivum	Others
BXGF01464	Artemisia rupestris	Artemisia rupestris	Medicinal Plant
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF02937	Senecio scandens	Senecio scandens	Medicinal Plant
BXGF03014	Cirsium japonicum	Cirsium japonicum	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF04588	Valeriana jatamansii	Valeriana jatamansii	Medicinal Plant
BXGF04591	Chrysanthemum boreale	Chrysanthemum boreale	Medicinal Plant
BXGF05065	Kniphofia pumila	Kniphofia pumila	Others
BXGF05081	Agastache rugosus	Agastache rugosus	Medicinal Plant
BXGF05127	Robinia pseudoacacia	Robinia pseudoacacia	Medicinal Plant
BXGF05631	Turpinia arguta	Turpinia arguta	Others
BXGF05883	Pachyrhizus tuberosus	Pachyrhizus tuberosus	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}