acompound

Showing entry for Anonaine

General Compound Information
BXGC Id	BXGC0024748
Compound Name	Anonaine
Structure
Formula	C17H15NO2
InchiKey	VZTUKBKUWSHDFM-CYBMUJFWSA-N
SMILES	c1ccc2c(c1)C[C@@H]1c3c2c2OCOc2cc3CCN1
Inchi	InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1
IUPAC
Molecular Weight	265.11
Pubchem Id	160597
Chembl Id	CHEMBL401798

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

50202322

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	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	-	800	-	-
reviewed	BXGT013504	Protein tyrosine phosphatase receptor type C-associated protein	reviewed		PTPRCAP	-	17000	-	-
reviewed	BXGT011367	D(2) dopamine receptor	reviewed		Drd2	-	19000	-	-
reviewed	BXGT008440	D(1A) dopamine receptor	reviewed		Drd1	-	68000	-	-

CHEMBL

CHEMBL401798

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
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	IC50	'='	800	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	IC50	'='	68000	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	IC50	'='	19000	nM
Q14761	BXGT013504	Protein tyrosine phosphatase receptor type C-associated protein	reviewed	-	PTPRCAP	IC50	'='	17000	nM
Q14761	BXGT013504	Protein tyrosine phosphatase receptor type C-associated protein	reviewed	-	PTPRCAP	Inhibition	'='	96	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00014	Custard apple	Annona reticulata	Fruits
BXGF00301	Cherimoya	Annona cherimola	Fruits
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00397	Colorado pinyon	Pinus edulis	Nuts
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF00459	Wax gourd	Benincasa hispida	Gourds
BXGF00863	Pyrus bourgaeana	Pyrus bourgaeana	Human Edible Plant
BXGF01020	Baccharis truncata	Baccharis truncata	Others
BXGF01060	Baccharis grandicapitulata	Baccharis grandicapitulata	Others
BXGF01079	Renealmia alpinia	Renealmia alpinia	Human Edible Plant
BXGF01101	Ononis viscosa	Ononis viscosa	Others
BXGF01192	Cuphea hyssopifolia	Cuphea hyssopifolia	Human Edible Plant
BXGF01207	Morella pensylvanica	Morella pensylvanica	Others
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF01276	Delphinium giraldii	Delphinium giraldii	Medicinal Plant
BXGF01337	Stellaria media	Stellaria media	Medicinal Plant
BXGF01394	Holarrhena floribunda	Holarrhena floribunda	Medicinal Plant
BXGF01493	Curcuma aeruginosa	Curcuma aeruginosa	Medicinal Plant
BXGF01565	Farfugium japonicum	Farfugium japonicum	Medicinal Plant
BXGF01600	Sedum sarmentosum	Sedum sarmentosum	Medicinal Plant
BXGF01603	Piper brachystachyum	Piper brachystachyum	Medicinal Plant
BXGF01628	Salvia broussonetii	Salvia broussonetii	Others
BXGF01656	Eria rigida	Eria rigida	Others
BXGF01688	Tephroseris kirilowii	Tephroseris kirilowii	Medicinal Plant
BXGF01691	Gynoxys verrucosa	Gynoxys verrucosa	Others
BXGF01843	Triunia erythrocarpa	Triunia erythrocarpa	Others
BXGF01967	Senecio congestus	Senecio congestus	Medicinal Plant
BXGF01984	Chloranthus fortunei	Chloranthus fortunei	Others
BXGF02007	Sandoricum koetjape	Sandoricum koetjape	Medicinal Plant
BXGF02033	Suaeda maritima	Suaeda maritima	Medicinal Plant
BXGF02058	Pedicularis rex	Pedicularis rex	Others
BXGF02124	Papaver pseudocanescens	Papaver pseudocanescens	Others
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02242	Sideritis dasygnaphala	Sideritis dasygnaphala	Others
BXGF02382	Gutierrezia dracunculoides	Gutierrezia dracunculoides	Others
BXGF02409	Euphorbia palustris	Euphorbia palustris	Medicinal Plant
BXGF02423	Psidium acutangulum	Psidium acutangulum	Human Edible Plant
BXGF02440	Beesia calthifolia	Beesia calthifolia	Others
BXGF02451	Sorbus torminalis	Sorbus torminalis	Medicinal Plant
BXGF02483	Bursera kerberi	Bursera kerberi	Others
BXGF02509	Xanthium sibiricum	Xanthium sibiricum	Medicinal Plant
BXGF02514	Helenium integrifolium	Helenium integrifolium	Others
BXGF02543	Rhododendron mucronulatum	Rhododendron mucronulatum	Medicinal Plant
BXGF02570	Euonymus fortunei	Euonymus fortunei	Medicinal Plant
BXGF02613	Phlomis crinita	Phlomis crinita	Medicinal Plant
BXGF02665	Crotalaria stolzii	Crotalaria stolzii	Others
BXGF02682	Selinum libanotis	Selinum libanotis	Others
BXGF02718	Melampodium leucanthum	Melampodium leucanthum	Others
BXGF02734	Clerodendrum trichotomum	Clerodendrum trichotomum	Medicinal Plant
BXGF02750	Juniperus scopulorum	Juniperus scopulorum	Medicinal Plant
BXGF02785	Clinacanthus nutans	Clinacanthus nutans	Medicinal Plant
BXGF02827	Alstonia angustiloba	Alstonia angustiloba	Others
BXGF02840	Lasianthaea podocephala	Lasianthaea podocephala	Others
BXGF02855	Eucalyptus albens	Eucalyptus albens	Others
BXGF02908	Pellacalyx axillaris	Pellacalyx axillaris	Others
BXGF02950	Boschniakia rossica	Boschniakia rossica	Medicinal Plant
BXGF03407	Stephania pierrei	Stephania pierrei	Medicinal Plant
BXGF03817	Coffea liberica var. dewevrei	Coffea liberica var. dewevrei	Medicinal Plant
BXGF03957	Centaurea benedicta	Centaurea benedicta	Medicinal Plant
BXGF04011	Botrychium ternatum	Botrychium ternatum	Medicinal Plant
BXGF04069	Posidonia oceanica	Posidonia oceanica	Others
BXGF04381	Chuquiraga erinacea	Chuquiraga erinacea	Others
BXGF04902	Lupinus cosentinii	Lupinus cosentinii	Others
BXGF04931	Polyalthia longifolia var. pendula	Polyalthia longifolia var. pendula	Others
BXGF05099	Alpinia flabellata	Alpinia flabellata	Medicinal Plant
BXGF05249	Fouquieria diguetii	Fouquieria diguetii	Others
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05318	Hedysarum gmelini	Hedysarum gmelini	Others
BXGF05465	Euploca racemosa	Euploca racemosa	Others
BXGF05701	Euphorbia pithyusa	Euphorbia pithyusa	Others
BXGF05915	Fritillaria hupehensis	Fritillaria hupehensis	Medicinal Plant
BXGF06054	Angelica japonica	Angelica japonica	Medicinal Plant
BXGF06158	Lathyrus latifolius	Lathyrus latifolius	Medicinal Plant
BXGF06244	Pterocarpus erinaceus	Pterocarpus erinaceus	Medicinal Plant
BXGF06271	Artemisia pectinata	Artemisia pectinata	Others
BXGF06307	Zephyranthes flava	Zephyranthes flava	Others

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}