acompound

Showing entry for Castanin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0010360
Compound Name	Castanin
Structure
Formula	C34H24O22
InchiKey	CHBITXAMNKHJCR-JNUHSSLSSA-N
SMILES	[H][C@]1(O)[C@@H]2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(C=C(O)C(O)=C1O)C(=O)O[C@H]2[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC[C@H]1O
Inchi	InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1
IUPAC	14-{3,4,5,11,16,17,18-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,?]nonadeca-1(18),2,4,6,15(19),16-hexaen-10-yl}-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.0?,1?.0?,11]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione
Molecular Weight	784.54
Pubchem Id	14035442
Chembl Id	CHEMBL509562

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	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	-	720	-	-
reviewed	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	450	-	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	-	59	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	-	280	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	980	-	-	-

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
P00742	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	Ki	'='	450	nM
P00735	BXGT005631	Prothrombin	reviewed	-	F2	IC50	'='	59	nM
P00735	BXGT005631	Prothrombin	reviewed	-	F2	IC50	'='	280	nM
P00735	BXGT005631	Prothrombin	reviewed	-	F2	Ki	'='	980	nM
P00742	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	IC50	'='	720	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00821	Nuts		Nuts
BXGF00823	Fruits		Fruits
BXGF01540	Rhodomyrtus tomentosa	Rhodomyrtus tomentosa	Medicinal Plant
BXGF03199	Combretum indicum	Combretum indicum	Medicinal Plant
BXGF04726	Eucalyptus viminalis	Eucalyptus viminalis	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}