acompound

Showing entry for Schisantherin E

General Compound Information
BXGC Id	BXGC0041820
Compound Name	Schisantherin E
Structure
Formula	C30H34O9
InchiKey	ZNXDFTKQSCEJGE-DSASHONVSA-N
SMILES	COc1cc2c(c(c1OC)OC)c1c(cc(c(c1OC)OC)O)C[C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C
Inchi	InChI=1S/C30H34O9/c1-16-13-18-14-20(31)24(35-4)26(37-6)22(18)23-19(15-21(34-3)25(36-5)27(23)38-7)28(30(16,2)33)39-29(32)17-11-9-8-10-12-17/h8-12,14-16,28,31,33H,13H2,1-7H3/t16-,28-,30-/m0/s1
IUPAC
Molecular Weight	538.22
Pubchem Id	13844274
Chembl Id	CHEMBL4203313

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

CHEMBL4203313

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
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Drug metabolism	-	-	-
P24462	BXGT022674	Cytochrome P450 3A7	reviewed	-	CYP3A7	Drug metabolism	-	-	-
Q9HB55	BXGT026099	Cytochrome P450 3A43	reviewed	Enzyme	CYP3A43	Drug metabolism	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Drug metabolism	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Drug metabolism	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	FC	'='	2	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Drug metabolism	'='	23	pmol/min/mg
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Drug metabolism	'='	1	pmol/min
P05181	BXGT006337	Cytochrome P450 2E1	reviewed	-	CYP2E1	Drug metabolism	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Activity	-	-	-
P05181	BXGT006337	Cytochrome P450 2E1	reviewed	-	CYP2E1	Activity	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Activity	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Vmax	'='	2	pmol/min
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Drug metabolism	-	-	-
P51589	BXGT010867	Cytochrome P450 2J2	reviewed	-	CYP2J2	Drug metabolism	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Drug metabolism	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Drug metabolism	-	-	-
P24462	BXGT022674	Cytochrome P450 3A7	reviewed	-	CYP3A7	Drug metabolism	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Drug metabolism	'>='	30	pmol/min
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Drug metabolism	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Drug metabolism	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Km	'='	5900	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	FC	'='	2	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Ratio	'='	0	uL/min/pmol
P20813	BXGT008603	Cytochrome P450 2B6	reviewed	-	CYP2B6	Activity	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Ratio	'='	10	uL/min/pmol
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Activity	-	-	-
P20813	BXGT008603	Cytochrome P450 2B6	reviewed	-	CYP2B6	Drug metabolism	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Activity	-	-	-
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Drug metabolism	-	-	-
P10632	BXGT007592	Cytochrome P450 2C8	reviewed	-	CYP2C8	Activity	-	-	-
P20815	BXGT008604	Cytochrome P450 3A5	reviewed	Enzyme	CYP3A5	Vmax	'='	63	pmol/min
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Drug metabolism	-	-	-
Q08477	BXGT026164	Docosahexaenoic acid omega-hydroxylase CYP4F3	reviewed	Enzyme	CYP4F3	Drug metabolism	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Km	'='	5300	nM
P10632	BXGT007592	Cytochrome P450 2C8	reviewed	-	CYP2C8	Drug metabolism	-	-	-
P78329	BXGT026166	Phylloquinone omega-hydroxylase CYP4F2	reviewed	Enzyme	CYP4F2	Drug metabolism	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Drug metabolism	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
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}