acompound

Showing entry for Schisandrin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027288
Compound Name	Schisandrin A
Structure
Formula	C24H32O6
InchiKey	JEJFTTRHGBKKEI-OKILXGFUSA-N
SMILES	COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c(c(c3)OC)OC)C)cc(c1OC)OC
Inchi	InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
IUPAC
Molecular Weight	416.22
Pubchem Id	155256
Chembl Id	CHEMBL253908

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
Q05769	BXGT012834	Prostaglandin G/H synthase 2	reviewed	-	Ptgs2	Activity	-	-	-
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-1	%
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	2	ug.mL-1
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	25929	nM
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
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	28183	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Activity	'='	28	%
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	Potency	'='	19952	nM
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	79432	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-4	%
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Drug metabolism	'='	10	pmol/min
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Drug metabolism	'='	16	pmol/min

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03893	Schisandra rubriflora	Schisandra rubriflora	Medicinal Plant
BXGF04836	Schisandra neglecta	Schisandra neglecta	Others
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
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}