acompound

Showing entry for Sciadopitisin

General Compound Information
BXGC Id	BXGC0018642
Compound Name	Sciadopitisin
Structure
Formula	C33H24O10
InchiKey	YCXRBCHEOFVYEN-UHFFFAOYSA-N
SMILES	COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC
Inchi	InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
IUPAC	5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
Molecular Weight	580.14
Pubchem Id	5281696
Chembl Id	CHEMBL208908

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

n.a

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

CHEMBL

CHEMBL208908

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
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Ki	'='	35600	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	0	%
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	IC50	'='	38400	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	56194	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	56194	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	15848	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	15848	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00872	Equisetum hyemale	Equisetum hyemale	Medicinal Plant
BXGF00966	Tristania conferta	Tristania conferta	Others
BXGF00972	Plectranthus myrianthus	Plectranthus myrianthus	Others
BXGF01024	Pentaclethra macrophylla	Pentaclethra macrophylla	Medicinal Plant
BXGF01085	Veronica polita	Veronica polita	Medicinal Plant
BXGF01183	Glycosmis macrophylla	Glycosmis macrophylla	Others
BXGF01253	Stephania zippeliana	Stephania zippeliana	Others
BXGF01329	Eucalyptus apodophylla	Eucalyptus apodophylla	Medicinal Plant
BXGF01416	Hypericum polyanthemum	Hypericum polyanthemum	Others
BXGF01418	Distephanus angulifolius	Distephanus angulifolius	Others
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01548	Campylotropis hirtella	Campylotropis hirtella	Medicinal Plant
BXGF02633	Breonia chinensis	Breonia chinensis	Medicinal Plant
BXGF03518	Mentha cardiaca	Mentha cardiaca	Others
BXGF03553	Cephalotaxus koreana	Cephalotaxus koreana	Others
BXGF03637	Rhodiola semenovii	Rhodiola semenovii	Others
BXGF04664	Torreya nucifera	Torreya nucifera	Medicinal Plant
BXGF05170	Crotalaria candicans	Crotalaria candicans	Others
BXGF05385	Eria japonica	Eria japonica	Others
BXGF05427	Salvia sessei	Salvia sessei	Others
BXGF05466	Juniperus drupacea	Juniperus drupacea	Medicinal Plant
BXGF05615	Ceropegia dichotoma	Ceropegia dichotoma	Garden Plant
BXGF05708	Ononis spinosa	Ononis spinosa	Medicinal Plant
BXGF05903	Crinum moorei	Crinum moorei	Others
BXGF05913	Eucalyptus globulus subsp. bicostata	Eucalyptus globulus subsp. bicostata	Medicinal Plant
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06119	Gypsophila perfoliata	Gypsophila perfoliata	Others
BXGF06195	Pterocaulon virgatum	Pterocaulon virgatum	Medicinal Plant
BXGF06241	Vernonia cistifolia	Vernonia cistifolia	Others
BXGF06274	Sonneratia caseolaris	Sonneratia caseolaris	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}