acompound

Showing entry for Panduratin A

General Compound Information
BXGC Id	BXGC0016014
Compound Name	Panduratin A
Structure
Formula	C26H30O4
InchiKey	LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
SMILES	COc1cc(O)c(c(c1)O)C(=O)[C@@H]1[C@H](CC=C(C)C)C(=CC[C@H]1c1ccccc1)C
Inchi	InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
IUPAC	(2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
Molecular Weight	406.21
Pubchem Id	6483648
Chembl Id	CHEMBL379110

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

50185449

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	BXGT009390	Genome polyprotein	reviewed		-	25000	-	-	-

CHEMBL

CHEMBL379110

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
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	93	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	47	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	66	%
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'>'	10	ug ml-1
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	99	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Ki	'='	25000	nM
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	27	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	90	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	87	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	92	%
P29990	BXGT009390	Genome polyprotein	reviewed	-		Inhibition	'='	59	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00921	Gaillardia coahuilensis	Gaillardia coahuilensis	Others
BXGF01250	Colchicum filifolium	Colchicum filifolium	Others
BXGF01256	Cynoglossum macrostylum	Cynoglossum macrostylum	Others
BXGF01686	Pulsatilla chinensis	Pulsatilla chinensis	Medicinal Plant
BXGF02206	Mucuna holtonii	Mucuna holtonii	Others
BXGF02233	Quercus marilandica	Quercus marilandica	Medicinal Plant
BXGF02446	Centaurea scoparia	Centaurea scoparia	Others
BXGF03054	Mimosa pigra	Mimosa pigra	Medicinal Plant
BXGF03601	Maclura cochinchinensis	Maclura cochinchinensis	Medicinal Plant
BXGF03920	Kaempferia pandurata	Kaempferia pandurata	Medicinal Plant
BXGF04035	Campanula choziatowskyi	Campanula choziatowskyi	Others
BXGF04208	Salvia patens	Salvia patens	Others
BXGF04214	Dialium excelsum	Dialium excelsum	Others
BXGF04380	Euphorbia hylonoma	Euphorbia hylonoma	Others
BXGF04409	Senecio platyphylloides	Senecio platyphylloides	Others
BXGF04418	Drymaria cordata	Drymaria cordata	Medicinal Plant
BXGF04442	Boesenbergia pandurata	Boesenbergia pandurata	Medicinal Plant
BXGF04447	Helleborus macranthus	Helleborus macranthus	Others
BXGF04448	Salix rosmarinifolia	Salix rosmarinifolia	Others
BXGF04455	Heliotropium scabrum	Heliotropium scabrum	Others
BXGF04457	Podocarpus dacrydioides	Podocarpus dacrydioides	Medicinal Plant
BXGF04469	Centaurea sonchifolia	Centaurea sonchifolia	Others
BXGF04472	Matricaria sabulosa	Matricaria sabulosa	Others
BXGF04489	Pterocaulon serrulatum	Pterocaulon serrulatum	Medicinal Plant
BXGF04504	Boswellia ovalifoliolata	Boswellia ovalifoliolata	Medicinal Plant
BXGF04515	Hardenbergia violacea	Hardenbergia violacea	Medicinal Plant
BXGF04529	Lonchocarpus chiricanus	Lonchocarpus chiricanus	Others
BXGF04533	Astragalus circassicus	Astragalus circassicus	Others
BXGF04543	Erythrina hypaphorus	Erythrina hypaphorus	Others
BXGF04548	Beilschmiedia madang	Beilschmiedia madang	Medicinal Plant
BXGF04555	Salvia lavanduloides	Salvia lavanduloides	Others
BXGF04573	Rubia akane	Rubia akane	Medicinal Plant
BXGF04586	Aniba santalodora	Aniba santalodora	Others
BXGF04618	Mentzelia decapetala	Mentzelia decapetala	Human Edible Plant
BXGF04648	Amorphophallus konjac	Amorphophallus konjac	Human Edible Plant
BXGF05231	Salvia virgata	Salvia virgata	Human Edible Plant
BXGF05566	Petunia axillaris subsp. parodii	Petunia axillaris subsp. parodii	Medicinal Plant
BXGF06081	Xylopia emarginata	Xylopia emarginata	Others
BXGF06122	Bethencourtia palmensis	Bethencourtia palmensis	Others
BXGF06203	Lepechinia urbanii	Lepechinia urbanii	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}