acompound

Showing entry for cratoxyxanthone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019347
Compound Name	cratoxyxanthone
Structure
Formula	C48H50O13
InchiKey	TXRIJCKIVJGAAY-OBVMIHPSSA-N
SMILES	COc1c(O)cc2c(c1CC=C(C)C)c(=O)c1c(o2)c(c(c(c1O)CC=C(C)C)O)[C@@H]1c2c(O[C@H]1C(O)(C)C)cc1c(c2O)c(=O)c2c(o1)cc(c(c2CC=C(C)C)OC)O
Inchi	InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,
IUPAC	(2R,3S)-4,8-dihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-3-[1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxoxanthen-4-yl]-2,3-dihydrofuro[3,2-b]xanthen-5-one
Molecular Weight	834.33
Pubchem Id	46879489
Chembl Id	CHEMBL1076209

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	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	-	>20000	-	-
reviewed	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	-	>20000	-	-

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	'>'	20000	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'>'	20000	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
BXGF03981	Senecio vellereus	Senecio vellereus	Others
BXGF04519	Serpocaulon triseriale	Serpocaulon triseriale	Others
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}