acompound

Showing entry for (S)-Isocorydine

General Compound Information
BXGC Id	BXGC0001426
Compound Name	(S)-Isocorydine
Structure
Formula	C20H23NO4
InchiKey	QELDJEKNFOQJOY-ZDUSSCGKSA-N
SMILES	[H][C@@]12CC3=CC=C(OC)C(O)=C3C3=C(OC)C(OC)=CC(CCN1C)=C23
Inchi	InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
IUPAC	(9S)-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,?.013,1?]heptadeca-1(16),2,4,6,13(17),14-hexaen-3-ol
Molecular Weight	341.4
Pubchem Id	10143
Chembl Id	CHEMBL489525

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

50250273

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	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	>50000	-	-

CHEMBL

CHEMBL489525

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
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	11582	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	39810	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	50118	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	115	%
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	12589	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	12589	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	10000	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	12589	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	8912	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	8912	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	25118	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1584	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	10000	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	35481	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	102	%
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'>'	50000	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00127	Poppy	Papaver	Herbs and Spices
BXGF00301	Cherimoya	Annona cherimola	Fruits
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF00951	Chrysanthemum myconis	Chrysanthemum myconis	Others
BXGF00999	Vachellia karroo	Vachellia karroo	Medicinal Plant
BXGF01060	Baccharis grandicapitulata	Baccharis grandicapitulata	Others
BXGF01079	Renealmia alpinia	Renealmia alpinia	Human Edible Plant
BXGF01207	Morella pensylvanica	Morella pensylvanica	Others
BXGF01276	Delphinium giraldii	Delphinium giraldii	Medicinal Plant
BXGF01337	Stellaria media	Stellaria media	Medicinal Plant
BXGF01493	Curcuma aeruginosa	Curcuma aeruginosa	Medicinal Plant
BXGF01603	Piper brachystachyum	Piper brachystachyum	Medicinal Plant
BXGF01688	Tephroseris kirilowii	Tephroseris kirilowii	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01967	Senecio congestus	Senecio congestus	Medicinal Plant
BXGF02124	Papaver pseudocanescens	Papaver pseudocanescens	Others
BXGF02179	Cephalaria leucantha	Cephalaria leucantha	Others
BXGF02242	Sideritis dasygnaphala	Sideritis dasygnaphala	Others
BXGF02382	Gutierrezia dracunculoides	Gutierrezia dracunculoides	Others
BXGF02423	Psidium acutangulum	Psidium acutangulum	Human Edible Plant
BXGF02440	Beesia calthifolia	Beesia calthifolia	Others
BXGF02483	Bursera kerberi	Bursera kerberi	Others
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
BXGF02661	Sphaerophysa salsula	Sphaerophysa salsula	Others
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
BXGF02753	Diplacus aurantiacus	Diplacus aurantiacus	Others
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
BXGF02930	Euphorbia characias subsp. wulfenii	Euphorbia characias subsp. wulfenii	Medicinal Plant
BXGF02950	Boschniakia rossica	Boschniakia rossica	Medicinal Plant
BXGF02968	Doronicum grandiflorum	Doronicum grandiflorum	Others
BXGF03173	Oxytropis lanata	Oxytropis lanata	Others
BXGF03259	Populus balsamifera	Populus balsamifera	Medicinal Plant
BXGF03331	Strychnos gossweileri	Strychnos gossweileri	Others
BXGF03417	Leibnitzia anandria	Leibnitzia anandria	Medicinal Plant
BXGF03475	Lithocarpus haipinii	Lithocarpus haipinii	Others
BXGF03817	Coffea liberica var. dewevrei	Coffea liberica var. dewevrei	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04011	Botrychium ternatum	Botrychium ternatum	Medicinal Plant
BXGF04038	Plectranthus ernstii	Plectranthus ernstii	Others
BXGF04260	Polanisia trachysperma	Polanisia trachysperma	Human Edible Plant
BXGF04321	Eupatorium rebaudianum	Eupatorium rebaudianum	Medicinal Plant
BXGF04399	Solanum boerhaavii	Solanum boerhaavii	Others
BXGF04437	Coleus wulfenioides	Coleus wulfenioides	Others
BXGF04476	Polygala senega	Polygala senega	Medicinal Plant
BXGF04505	Bursera simaruba	Bursera simaruba	Medicinal Plant
BXGF04510	Delphinium denudatum	Delphinium denudatum	Medicinal Plant
BXGF04685	Mentha incana	Mentha incana	Others
BXGF04761	Corydalis tuberosa	Corydalis tuberosa	Medicinal Plant
BXGF04764	Ericameria laricifolia	Ericameria laricifolia	Others
BXGF04773	Cissus quadrangularis	Cissus quadrangularis	Medicinal Plant
BXGF04808	Dovyalis hebecarpa	Dovyalis hebecarpa	Human Edible Plant
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF04823	Ormosia fordiana	Ormosia fordiana	Others
BXGF04841	Lycopodium chinense	Lycopodium chinense	Others
BXGF04852	Ixeris repens	Ixeris repens	Medicinal Plant
BXGF04859	Loranthus longiflorus	Loranthus longiflorus	Medicinal Plant
BXGF04869	Callistemon speciosus	Callistemon speciosus	Others
BXGF04883	Eremophila oppositifolia	Eremophila oppositifolia	Others
BXGF04894	Taxillus yadoriki	Taxillus yadoriki	Others
BXGF04902	Lupinus cosentinii	Lupinus cosentinii	Others
BXGF05030	nectandra salicifolia	nectandra salicifolia	Others
BXGF05318	Hedysarum gmelini	Hedysarum gmelini	Others
BXGF05465	Euploca racemosa	Euploca racemosa	Others
BXGF05762	Ardisia hortorum	Ardisia hortorum	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
BXGF06062	Podocarpus elatus	Podocarpus elatus	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}