acompound

Showing entry for 3-Isomangostin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012180
Compound Name	3-Isomangostin
Structure
Formula	C24H26O6
InchiKey	KJCDBAVVDILRMP-UHFFFAOYSA-N
SMILES	COC1=C(O)C=C2OC3=C(C(O)=C4CCC(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C
Inchi	InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
IUPAC	5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one
Molecular Weight	410.46
Pubchem Id	13873655
Chembl Id	CHEMBL464119

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

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
P02766	BXGT005953	Transthyretin	reviewed	TTR	Transporter	-	-	-	-
P36639	BXGT009930	7,8-dihydro-8-oxoguanine triphosphatase	reviewed	NUDT1	Enzyme	-	52	-	-
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	PDE4D	-	-	-	-	-

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

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
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC50	-	-	-
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	-	-	-

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
BXGF00823	Fruits		Fruits
BXGF00848	Mundu	Garcinia dulcis	Fruits
BXGF00864	Nicotiana sylvestris	Nicotiana sylvestris	Others
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF01007	Eucalyptus camaldulensis	Eucalyptus camaldulensis	Medicinal Plant
BXGF03981	Senecio vellereus	Senecio vellereus	Others
BXGF04519	Serpocaulon triseriale	Serpocaulon triseriale	Others
BXGF05090	Lonicera hypoleuca	Lonicera hypoleuca	Human Edible Plant
BXGF05157	Garcinia morella	Garcinia morella	Medicinal 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}