acompound

Showing entry for Dihydrocubebin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043661
Compound Name	Dihydrocubebin
Structure
Formula	C20H22O6
InchiKey	JKCVMTYNARDGET-HOTGVXAUSA-N
SMILES	OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO)Cc1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
IUPAC	(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Molecular Weight	358.14
Pubchem Id	193042
Chembl Id	CHEMBL486597

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

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	9500	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	17500	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	142	-	-	-

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
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	17500	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	9500	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Ki	'='	142	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Kinact	'='	0	min-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01144	Lespedeza cyrtobotrya	Lespedeza cyrtobotrya	Medicinal Plant
BXGF01817	Uvaria ferruginea	Uvaria ferruginea	Others
BXGF01872	Teucrium fragile	Teucrium fragile	Others
BXGF02174	Trichilia dregeana	Trichilia dregeana	Medicinal Plant
BXGF02386	Ptelea crenulata	Ptelea crenulata	Others
BXGF02405	Hymenaea oblongifolia	Hymenaea oblongifolia	Others
BXGF02510	Flaveria bidentis	Flaveria bidentis	Medicinal Plant
BXGF02525	Sansevieria ehrenbergii	Sansevieria ehrenbergii	Human Edible Plant
BXGF05061	aristolochia constricta	aristolochia constricta	Medicinal Plant
BXGF05699	Cnidoscolus texanus	Cnidoscolus texanus	Others
BXGF05974	Diospyros montana	Diospyros montana	Medicinal Plant
BXGF06210	Veronica anagallis-aquatica	Veronica anagallis-aquatica	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}