acompound

Showing entry for Demethylmedicarpin

General Compound Information
BXGC Id	BXGC0034983
Compound Name	Demethylmedicarpin
Structure
Formula	C15H12O4
InchiKey	ODMIEGVTNZNSLD-WFASDCNBSA-N
SMILES	Oc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)O
Inchi	InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
IUPAC	(6aR,11aR)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Molecular Weight	256.07
Pubchem Id	162933
Chembl Id	CHEMBL1098413

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

50317431

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	BXGT007573	Sialidase	reviewed		nanH	3830	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	6390	-	-
reviewed	BXGT007427	Sialidase	reviewed		nanH	-	29540	-	-

CHEMBL

CHEMBL1098413

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
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	'='	91	%
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	'='	9	%
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-
P0C6E9	BXGT007427	Sialidase	reviewed	-	nanH	Activity	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Activity	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	3830	nM
P0C6E9	BXGT007427	Sialidase	reviewed	-	nanH	IC50	'='	29540	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	6390	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00957	Allagopappus viscosissimus	Allagopappus viscosissimus	Others
BXGF01173	Astragalus spinosus	Astragalus spinosus	Others
BXGF01235	Swertia decussata	Swertia decussata	Medicinal Plant
BXGF01269	Peltogyne pubescens	Peltogyne pubescens	Others
BXGF01321	Ranunculus peltatus	Ranunculus peltatus	Others
BXGF01349	Hydrangea serrata	Hydrangea serrata	Medicinal Plant
BXGF01437	Lunularia cruciata	Lunularia cruciata	Others
BXGF02687	Papaver tatricum	Papaver tatricum	Others
BXGF03731	Rosulabryum capillare	Rosulabryum capillare	Others
BXGF03774	Citrus rugulosa	Citrus rugulosa	Others
BXGF04060	Aglaia australiensis	Aglaia australiensis	Others
BXGF04274	Macadamia ternifolia	Macadamia ternifolia	Medicinal Plant
BXGF05041	Desmodium styracifolium	Desmodium styracifolium	Medicinal Plant
BXGF05050	Diplacus longiflorus	Diplacus longiflorus	Others
BXGF05129	Achillea pseudopectinata	Achillea pseudopectinata	Others
BXGF05328	Syzygium nervosum	Syzygium nervosum	Human Edible Plant
BXGF05366	Lepidosperma ustulatum	Lepidosperma ustulatum	Others
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05678	Dunalia solanacea	Dunalia solanacea	Others
BXGF05761	Berberis floribunda	Berberis floribunda	Medicinal Plant
BXGF05820	Jamesoniella colorata	Jamesoniella colorata	Medicinal Plant
BXGF05875	Fumaria micrantha	Fumaria micrantha	Others
BXGF05935	Pterodon emarginatus	Pterodon emarginatus	Others
BXGF05948	Berlinia tomentosa	Berlinia tomentosa	Others
BXGF06014	Cymodocea nodosa	Cymodocea nodosa	Others
BXGF06077	Bonamia spectabilis	Bonamia spectabilis	Others
BXGF06129	Atuna racemosa	Atuna racemosa	Human Edible Plant
BXGF06180	Astragalus pycnanthus	Astragalus pycnanthus	Others
BXGF06223	Pulsatilla campanella	Pulsatilla campanella	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}