acompound

Showing entry for (1R,10S)-10-Hydroxy-1,6-Dimethyl-10-(2-Oxopropyl)-1,2-Dihydronaphtho[1,2-G][1]Benzofuran-11-One

General Compound Information
BXGC Id	BXGC0041510
Compound Name	(1R,10S)-10-Hydroxy-1,6-Dimethyl-10-(2-Oxopropyl)-1,2-Dihydronaphtho[1,2-G][1]Benzofuran-11-One
Structure
Formula	C21H20O4
InchiKey	WQYKPUPMMFGHQW-QKVFXAPYSA-N
SMILES	CC(=O)C[C@@]1(O)C(=O)C2=C(c3c1c1cccc(c1cc3)C)OC[C@@H]2C
Inchi	InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21-/m0/s1
IUPAC	(1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
Molecular Weight	336.14
Pubchem Id	3083514
Chembl Id	CHEMBL2261306

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

CHEMBL2261306

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	'='	100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00880	Stauntonia obovatifoliola	Stauntonia obovatifoliola	Others
BXGF01040	Euphorbia sancta	Euphorbia sancta	Others
BXGF01156	Senecio madagascariensis	Senecio madagascariensis	Human Edible Plant
BXGF01243	Asphodeline tenuior	Asphodeline tenuior	Others
BXGF01277	Glycyrrhiza triphylla	Glycyrrhiza triphylla	Others
BXGF01390	Delphinium cyphoplectrum	Delphinium cyphoplectrum	Others
BXGF01481	Glycine falcata	Glycine falcata	Others
BXGF01553	Iris hoogiana	Iris hoogiana	Others
BXGF01801	Bothriocline longipes	Bothriocline longipes	Medicinal Plant
BXGF02830	Amaranthus hybr	Amaranthus hybr	Medicinal Plant
BXGF03376	Notholaena dealbata	Notholaena dealbata	Others
BXGF03539	Picradeniopsis pringlei	Picradeniopsis pringlei	Others
BXGF03744	Artemisia siversiana	Artemisia siversiana	Others
BXGF03882	Uvaria klaineana	Uvaria klaineana	Medicinal Plant
BXGF03927	Viburnum sieboldi	Viburnum sieboldi	Medicinal Plant
BXGF04075	Amentotaxus yunnanensis	Amentotaxus yunnanensis	Medicinal Plant
BXGF04096	Vicia sativa	Vicia sativa	Medicinal Plant
BXGF04106	Salvia przewalskii	Salvia przewalskii	Medicinal Plant
BXGF04156	Euphorbia retusa	Euphorbia retusa	Others
BXGF04422	Camptothecium lutescens	Camptothecium lutescens	Others
BXGF04578	Metzgeria pubescens	Metzgeria pubescens	Others
BXGF04603	Dioscorea communis	Dioscorea communis	Medicinal Plant
BXGF05228	Deguelia hatschbachii	Deguelia hatschbachii	Others
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05621	Agathosma thymifolia	Agathosma thymifolia	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}