acompound

Showing entry for Schizandrin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012651
Compound Name	Schizandrin
Structure
Formula	C24H32O7
InchiKey	YEFOAORQXAOVJQ-RZFZLAGVSA-N
SMILES	COc1c(OC)cc2c(c1OC)c1c(cc(c(c1OC)OC)OC)C[C@@H]([C@@](C2)(C)O)C
Inchi	InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1
IUPAC
Molecular Weight	432.21
Pubchem Id	3001664
Chembl Id	CHEMBL253688

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
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	Inhibition	-	-	-
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Inhibition	-	-	-
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	-	-	-
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	3981	nM
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	-	-	-
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
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	1	ug.mL-1
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	2909	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	2909	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	2909	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Drug metabolism	'>='	30	pmol/min
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Drug metabolism	'='	1	pmol/min

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00186	Fenugreek	Trigonella foenum-graecum	Herbs and Spices
BXGF01762	Persea kusanoi	Persea kusanoi	Others
BXGF03500	Croton megistocarpus	Croton megistocarpus	Others
BXGF03893	Schisandra rubriflora	Schisandra rubriflora	Medicinal Plant
BXGF04836	Schisandra neglecta	Schisandra neglecta	Others
BXGF05258	Geranium sibiricum	Geranium sibiricum	Medicinal Plant
BXGF05301	Baphicacanthus cusia	Baphicacanthus cusia	Medicinal Plant
BXGF05303	Lagerstroemia indica	Lagerstroemia indica	Medicinal Plant
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
BXGF05878	Senecio isatideus	Senecio isatideus	Others
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}