acompound

Showing entry for quassin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012996
Compound Name	quassin
Structure
Formula	C22H28O6
InchiKey	IOSXSVZRTUWBHC-LBTVDEKVSA-N
SMILES	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1C(=O)C(=C([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)C)OC
Inchi	InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
IUPAC
Molecular Weight	388.19
Pubchem Id	65571
Chembl Id	CHEMBL517016

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
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	IC50	-	-	-
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	Inhibition	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	4	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	24	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	100	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF06009	Picrasma quassioides	Picrasma quassioides	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}