acompound

Showing entry for schizandrol B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038924
Compound Name	schizandrol B
Structure
Formula	C23H28O7
InchiKey	ZWRRJEICIPUPHZ-DAOPMYJZSA-N
SMILES	COc1cc2C[C@@](C)(O)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
Inchi	InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1
IUPAC
Molecular Weight	416.18
Pubchem Id	15608605
Chembl Id	CHEMBL1159658

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	-	-	-
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	3	ug.mL-1
Q05769	BXGT012834	Prostaglandin G/H synthase 2	reviewed	-	Ptgs2	Activity	-	-	-
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Inhibition	-	-	-
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	1	ug.mL-1
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	Inhibition	-	-	-
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01763	Kadsura interior	Kadsura interior	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05977	Schisandra chinensis	Schisandra chinensis	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}