acompound

Showing entry for alpha-Allocryptopine

General Compound Information
BXGC Id	BXGC0003457
Compound Name	alpha-Allocryptopine
Structure
Formula	C21H23NO5
InchiKey	HYBRYAPKQCZIAE-UHFFFAOYSA-N
SMILES	COC1=C(OC)C2=C(CC(=O)C3=C(CCN(C)C2)C=C2OCOC2=C3)C=C1
Inchi	InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
IUPAC	7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.0?,?.01?,2?]henicosa-1(14),4(9),5,7,15,20-hexaen-2-one
Molecular Weight	369.41
Pubchem Id	98570
Chembl Id	CHEMBL520043

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

50130203

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	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	122	-	-	-

CHEMBL

CHEMBL520043

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
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	35481	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	100000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Ki	'='	122	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	3162	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	14125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF01052	Artabotrys maingayi	Artabotrys maingayi	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01585	Thalictrum atriplex	Thalictrum atriplex	Others
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF01723	Erythrophleum suaveolens	Erythrophleum suaveolens	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01752	Corydalis decumbens	Corydalis decumbens	Medicinal Plant
BXGF02132	Thalictrum glandulosissimum	Thalictrum glandulosissimum	Others
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02301	Thalictrum petaloideum	Thalictrum petaloideum	Others
BXGF02455	Cyperus nipponicus	Cyperus nipponicus	Others
BXGF02736	Larix decidua	Larix decidua	Medicinal Plant
BXGF02860	Macleaya cordata	Macleaya cordata	Medicinal Plant
BXGF02986	Dendrobium amplum	Dendrobium amplum	Others
BXGF03013	Dalbergia spruceana	Dalbergia spruceana	Medicinal Plant
BXGF03201	Thalictrum minus var. hypoleucum	Thalictrum minus var. hypoleucum	Human Edible Plant
BXGF03260	Garcinia xanthochymus	Garcinia xanthochymus	Medicinal Plant
BXGF03263	Thalictrum faberi	Thalictrum faberi	Others
BXGF03267	Thalictrum simplex	Thalictrum simplex	Medicinal Plant
BXGF03333	Nuxia sphaerocephala	Nuxia sphaerocephala	Medicinal Plant
BXGF03381	Hylomecon japonica	Hylomecon japonica	Medicinal Plant
BXGF03464	Senna spectabilis	Senna spectabilis	Medicinal Plant
BXGF03578	Horsfieldia glabra	Horsfieldia glabra	Medicinal Plant
BXGF03612	Symphytum officinale	Symphytum officinale	Medicinal Plant
BXGF03764	Psacalium peltatum	Psacalium peltatum	Medicinal Plant
BXGF03830	Diospyros ebenum	Diospyros ebenum	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03971	Corydalis ophiocarpa	Corydalis ophiocarpa	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04055	Teclea sudanica	Teclea sudanica	Others
BXGF04063	Mezzettia leptopoda	Mezzettia leptopoda	Others
BXGF04090	Thalictrum microgynum	Thalictrum microgynum	Medicinal Plant
BXGF04119	Stachys plumosa	Stachys plumosa	Others
BXGF04178	Piper methysticum	Piper methysticum	Medicinal Plant
BXGF04190	Lappula echinata	Lappula echinata	Medicinal Plant
BXGF04237	Ligularia sagitta	Ligularia sagitta	Medicinal Plant
BXGF04716	Corydalis remota	Corydalis remota	Others
BXGF04806	Ulex airensis	Ulex airensis	Others
BXGF04853	Prunus humilis	Prunus humilis	Medicinal Plant
BXGF04912	Corydalis rhizoma	Corydalis rhizoma	Others
BXGF04941	Thalictrum thunbergii	Thalictrum thunbergii	Medicinal Plant
BXGF05074	Chaetomorpha moniligera	Chaetomorpha moniligera	Others
BXGF05103	Argemone mexicana	Argemone mexicana	Medicinal Plant
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	Medicinal Plant
BXGF06188	Swertia mussotii	Swertia mussotii	Medicinal Plant
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	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}