acompound

Showing entry for Macluraxanthone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024605
Compound Name	Macluraxanthone
Structure
Formula	C23H22O6
InchiKey	XRVLGJCHUWXTDX-UHFFFAOYSA-N
SMILES	C=CC(c1c2OC(C)(C)C=Cc2c(c2c1oc1c(O)c(O)ccc1c2=O)O)(C)C
Inchi	InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
IUPAC	5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Molecular Weight	394.14
Pubchem Id	5281646
Chembl Id	CHEMBL478960

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

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	103	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	186	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	477.2	-	-	-

CHEMBL

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
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	31622	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	477	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	186	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Activity	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	103	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	15848	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	3162	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	11220	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	25118	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	3548	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	3548	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	39810	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	22387	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00373	Purple mangosteen	Garcinia mangostana	Fruits
BXGF00864	Nicotiana sylvestris	Nicotiana sylvestris	Others
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF01007	Eucalyptus camaldulensis	Eucalyptus camaldulensis	Medicinal Plant
BXGF01324	Albizia julibrissin	Albizia julibrissin	Medicinal Plant
BXGF03020	Ilex cornuta	Ilex cornuta	Medicinal Plant
BXGF03601	Maclura cochinchinensis	Maclura cochinchinensis	Medicinal Plant
BXGF03840	Rosa roxburghii	Rosa roxburghii	Medicinal Plant
BXGF03915	Cratoxylum cochinchinense	Cratoxylum cochinchinense	Medicinal Plant
BXGF03981	Senecio vellereus	Senecio vellereus	Others
BXGF04112	Euphorbia micractina	Euphorbia micractina	Others
BXGF04519	Serpocaulon triseriale	Serpocaulon triseriale	Others
BXGF04541	Calophyllum inophyllum	Calophyllum inophyllum	Medicinal Plant
BXGF04967	Cudrania tricuspidata	Cudrania tricuspidata	Medicinal Plant
BXGF05090	Lonicera hypoleuca	Lonicera hypoleuca	Human Edible Plant
BXGF05213	Halimodendron halodendron	Halimodendron halodendron	Others
BXGF06008	Aster bellidiastrum	Aster bellidiastrum	Others
BXGF06276	Wibelia divaricata	Wibelia divaricata	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}