acompound

Showing entry for (-)-Cubebin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017126
Compound Name	(-)-Cubebin
Structure
Formula	C20H20O6
InchiKey	DIYWRNLYKJKHAM-MDOVXXIYSA-N
SMILES	O[C@H]1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
IUPAC	(2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
Molecular Weight	356.13
Pubchem Id	117443
Chembl Id	CHEMBL399831

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	-	9100	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	35500	-	-

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
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	IC50	'>'	200000	nM
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	IC50	'>'	200000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	35500	nM
Q9Z1B7	BXGT022403	Mitogen-activated protein kinase 13	reviewed	-	Mapk13	Activity	-	-	-
Q9WUI1	BXGT021940	Mitogen-activated protein kinase 11	reviewed	-	Mapk11	Activity	-	-	-
O08911	BXGT004043	Mitogen-activated protein kinase 12	reviewed	-	Mapk12	Activity	-	-	-
P47811	BXGT010587	Mitogen-activated protein kinase 14	reviewed	-	Mapk14	Activity	-	-	-
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	IC50	'='	12000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	9100	nM
P63085	BXGT011493	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	Activity	-	-	-
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF05061	aristolochia constricta	aristolochia constricta	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}