acompound

Showing entry for Picrotoxin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016417
Compound Name	Picrotoxin
Structure
Formula	C15H18O7.C15H16O6
InchiKey	VJKUPQSHOVKBCO-ZTYBEOBUSA-N
SMILES	CC(=C)[C@@H]1C2OC(=O)C1[C@]1([C@]3([C@@H]2OC(=O)[C@]23C(C1)O2)C)O.O=C1OC2[C@H](C1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C
Inchi	InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14
IUPAC
Molecular Weight	310.11
Pubchem Id	31304
Chembl Id

Targets of Information Source

DrugBank

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
P24046	BXGT008943	Gamma-aminobutyric acid receptor subunit rho-1	reviewed	Ion channel	GABRR1	experimental	antagonist
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	experimental	antagonist
P23416	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	experimental	antagonist
O75311	BXGT005109	Glycine receptor subunit alpha-3	reviewed	Ion channel	GLRA3	experimental	antagonist
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	experimental	antagonist

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

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01325	Murraya exotica	Murraya exotica	Medicinal Plant
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF01958	Magnolia denudata	Magnolia denudata	Medicinal Plant
BXGF02004	Magnolia salicifolia	Magnolia salicifolia	Medicinal Plant
BXGF02759	Magnolia biondii	Magnolia biondii	Medicinal Plant
BXGF02843	Magnolia kobus	Magnolia kobus	Medicinal Plant
BXGF03977	Magnolia sprengeri	Magnolia sprengeri	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	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}