acompound

Showing entry for Jatrorrhizine

General Compound Information
BXGC Id	BXGC0017596
Compound Name	Jatrorrhizine
Structure
Formula	C20H19NO4
InchiKey	MXTLAHSTUOXGQF-UHFFFAOYSA-O
SMILES	COC1=CC2=c3cc4ccc(c(c4c[n+]3CCC2=CC1=O)OC)OC
Inchi	InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
IUPAC	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Molecular Weight	338.14
Pubchem Id	72323
Chembl Id	CHEMBL251055

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

50226670

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
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	66200	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	76300	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	2100	-	-

CHEMBL

CHEMBL251055

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
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	89125	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	31622	nM
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	15848	nM
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	66200	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	7079	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Potency	-	25118	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	11220	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	39810	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	2100	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	19952	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	12589	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	3162	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	25929	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
C4YTQ8	BXGT002500	ATP-dependent molecular chaperone HSP82	unreviewed	-	CAWG_05553	EC50	'>'	160000	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	15848	nM
Q77YF9	BXGT016886	Protein Vpr	unreviewed	-	vpr	Potency	-	63095	nM
P43351	BXGT010380	DNA repair protein RAD52 homolog	reviewed	Nucleic acid binding	RAD52	AC50	'='	15210	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	12589	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	19905	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	31622	nM
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	76300	nM
P03070	BXGT006016	Large T antigen	reviewed	-		IC50	-	10120	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00850	Tinospora capillipes	Tinospora capillipes	Others
BXGF00951	Chrysanthemum myconis	Chrysanthemum myconis	Others
BXGF01106	Euphorbia fortissima	Euphorbia fortissima	Medicinal Plant
BXGF01203	Berberis fortunei	Berberis fortunei	Medicinal Plant
BXGF01236	Anaxagorea luzonensis	Anaxagorea luzonensis	Medicinal Plant
BXGF01326	Argyreia nervosa	Argyreia nervosa	Medicinal Plant
BXGF01328	Theobroma speciosum	Theobroma speciosum	Medicinal Plant
BXGF01377	Erythrina chiriquensis	Erythrina chiriquensis	Others
BXGF01476	Stephania tetrandra	Stephania tetrandra	Medicinal Plant
BXGF01585	Thalictrum atriplex	Thalictrum atriplex	Others
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF01696	Coptis japonica	Coptis japonica	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01752	Corydalis decumbens	Corydalis decumbens	Medicinal Plant
BXGF01820	Androsace septentrionalis	Androsace septentrionalis	Others
BXGF01838	Dunaliella salina	Dunaliella salina	Human Edible Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02022	Croton regelianus	Croton regelianus	Others
BXGF02132	Thalictrum glandulosissimum	Thalictrum glandulosissimum	Others
BXGF02185	Calocephalus knappii	Calocephalus knappii	Others
BXGF02301	Thalictrum petaloideum	Thalictrum petaloideum	Others
BXGF02655	Berberis amurensis	Berberis amurensis	Medicinal Plant
BXGF02759	Magnolia biondii	Magnolia biondii	Medicinal Plant
BXGF02765	Berberis thunbergii	Berberis thunbergii	Medicinal Plant
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03201	Thalictrum minus var. hypoleucum	Thalictrum minus var. hypoleucum	Human Edible Plant
BXGF03263	Thalictrum faberi	Thalictrum faberi	Others
BXGF03267	Thalictrum simplex	Thalictrum simplex	Medicinal Plant
BXGF03280	Pilosocereus chrysacanthus	Pilosocereus chrysacanthus	Human Edible Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03456	Phelipanche arenaria	Phelipanche arenaria	Others
BXGF03487	Coptis omeiensis	Coptis omeiensis	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF03538	Notholaena schaffneri	Notholaena schaffneri	Others
BXGF03546	Pseudofumaria lutea	Pseudofumaria lutea	Others
BXGF03640	Fibraurea recisa	Fibraurea recisa	Medicinal Plant
BXGF03663	Coptis teetoides	Coptis teetoides	Others
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04038	Plectranthus ernstii	Plectranthus ernstii	Others
BXGF04085	Paratinospora sagittata	Paratinospora sagittata	Others
BXGF04090	Thalictrum microgynum	Thalictrum microgynum	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04334	Carapichea ipecacuanha	Carapichea ipecacuanha	Medicinal Plant
BXGF04498	Cussonia racemosa	Cussonia racemosa	Others
BXGF04508	Eupatorium glandulosum	Eupatorium glandulosum	Medicinal Plant
BXGF04560	Lathyrus aphaca	Lathyrus aphaca	Medicinal Plant
BXGF04568	Sideritis ferrensis	Sideritis ferrensis	Others
BXGF04599	Radula voluta	Radula voluta	Others
BXGF04692	Berberis julianae	Berberis julianae	Medicinal Plant
BXGF04707	Euphorbia broteri	Euphorbia broteri	Others
BXGF04714	Zamia spiralis	Zamia spiralis	Others
BXGF04784	Coptis teeta	Coptis teeta	Medicinal Plant
BXGF04797	Tinospora hainanensis	Tinospora hainanensis	Medicinal Plant
BXGF05007	Melianthus major	Melianthus major	Medicinal Plant
BXGF05405	Berberis japonica	Berberis japonica	Others
BXGF05470	Thalictrum lucidum	Thalictrum lucidum	Others
BXGF05506	Coptis chinensis	Coptis chinensis	Medicinal Plant
BXGF05533	Acronychia muelleri	Acronychia muelleri	Others
BXGF05617	Astragalus trojanus	Astragalus trojanus	Medicinal Plant
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05841	Aloe saponaria	Aloe saponaria	Medicinal Plant
BXGF05860	Phoradendron reichenbachianum	Phoradendron reichenbachianum	Medicinal Plant
BXGF05957	Artocarpus incisa	Artocarpus incisa	Medicinal Plant
BXGF05982	Ligularia nelumbifolia	Ligularia nelumbifolia	Medicinal Plant
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	Medicinal Plant
BXGF06057	Berberis oblonga	Berberis oblonga	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}