acompound

Showing entry for Avicularin

General Compound Information
BXGC Id	BXGC0049184
Compound Name	Avicularin
Structure
Formula	C20H18O11
InchiKey	BDCDNTVZSILEOY-UXYNSRGZSA-N
SMILES	OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1
IUPAC	3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular Weight	434.08
Pubchem Id	5490064
Chembl Id	CHEMBL471282

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

CHEMBL471282

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
P12276	BXGT007788	Fatty acid synthase	reviewed	-	FASN	IC50	'='	6150	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	19050	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	30	%

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
BXGF00090	Star anise	Illicium verum	Herbs and Spices
BXGF00094	Common walnut	Juglans regia	Nuts
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF01220	Hypericum scabrum	Hypericum scabrum	Medicinal Plant
BXGF01259	Illicium difengpi	Illicium difengpi	Medicinal Plant
BXGF01511	Rumex crispus	Rumex crispus	Medicinal Plant
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF03122	Lonicera caerulea	Lonicera caerulea	Medicinal Plant
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03373	Orthocaulis attenuatus	Orthocaulis attenuatus	Others
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF03532	Indigofera spicata	Indigofera spicata	Medicinal Plant
BXGF03773	Erysimum canescens	Erysimum canescens	Others
BXGF04043	Blitum virgatum	Blitum virgatum	Others
BXGF04087	Erysimum odoratum	Erysimum odoratum	Others
BXGF04092	Heterotheca inuloides	Heterotheca inuloides	Medicinal Plant
BXGF04098	Delphinium andersoni	Delphinium andersoni	Others
BXGF04126	Vismia jefensis	Vismia jefensis	Others
BXGF04142	Angelica tarokoensis	Angelica tarokoensis	Others
BXGF04147	Swertia delavayi	Swertia delavayi	Others
BXGF04165	Epimedium davidii	Epimedium davidii	Medicinal Plant
BXGF04168	Globba malaccensis	Globba malaccensis	Medicinal Plant
BXGF04174	Scabiosa pyrenaica	Scabiosa pyrenaica	Others
BXGF04175	Diphasia angolensis	Diphasia angolensis	Others
BXGF04182	Knightia excelsa	Knightia excelsa	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04207	Solanum acaule	Solanum acaule	Others
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04216	Frullania tamarisci	Frullania tamarisci	Others
BXGF04217	Agastache rugosa	Agastache rugosa	Medicinal Plant
BXGF04221	Alangium premnifolium	Alangium premnifolium	Others
BXGF04233	Saussurea carthamoides	Saussurea carthamoides	Others
BXGF04250	Galenia africana	Galenia africana	Medicinal Plant
BXGF04264	Micromeria pineolens	Micromeria pineolens	Others
BXGF04269	Gnidia lamprantha	Gnidia lamprantha	Medicinal Plant
BXGF04276	Ilex amara	Ilex amara	Others
BXGF04295	Leonurus glaucescens	Leonurus glaucescens	Medicinal Plant
BXGF04316	Barbarea verna	Barbarea verna	Medicinal Plant
BXGF04342	Salacia madagascariensis	Salacia madagascariensis	Human Edible Plant
BXGF04343	Maba buxifolia	Maba buxifolia	Medicinal Plant
BXGF04464	Berchemia floribunda	Berchemia floribunda	Medicinal Plant
BXGF04700	Hedeoma multiflora	Hedeoma multiflora	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04807	Plantago bellardi	Plantago bellardi	Others
BXGF04953	Polygonum aviculare	Polygonum aviculare	Medicinal Plant
BXGF04998	Rhododendron brachycarpum	Rhododendron brachycarpum	Medicinal Plant
BXGF05197	Ostryopsis davidiana	Ostryopsis davidiana	Human Edible Plant
BXGF05235	Phlomoides rotata	Phlomoides rotata	Others
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05320	Polymnia uvedalia	Polymnia uvedalia	Others
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF05500	Osyris abyssinica	Osyris abyssinica	Others
BXGF05682	Hypericum sikokumontanum	Hypericum sikokumontanum	Others
BXGF05911	Viscum album	Viscum album	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}