acompound

Showing entry for Ferruginoside C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034539
Compound Name	Ferruginoside C
Structure
Formula	C37H50O19
InchiKey	FAWZJJGBNPBDHC-YTODNAJMSA-N
SMILES	COc1ccc(cc1O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O
Inchi	InChI=1S/C37H50O19/c1-16-26(41)28(43)30(45)35(52-16)51-15-24-33(55-25(40)10-7-18-5-8-20(38)23(14-18)49-4)34(56-37-31(46)29(44)27(42)17(2)53-37)32(47)36(54-24)50-12-11-19-6-9-22(48-3)21(39)13-19/h5-10,13-14,16-17,24,26-39,41-47H,11-12,15H2,1-4H3/b10-7+/t16
IUPAC	[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Weight	798.29
Pubchem Id	10581173
Chembl Id	CHEMBL506920

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	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	-	125000	-	-

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
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	125000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02337	Penstemon linarioides	Penstemon linarioides	Others
BXGF05276	Digitalis purpurea	Digitalis purpurea	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}