acompound

Showing entry for Dihydroroseoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0011390
Compound Name	Dihydroroseoside
Structure
Formula	C19H32O8
InchiKey	QFTPTUOKFIIFJH-AATRIKPKSA-N
SMILES	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C
Inchi	InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+
IUPAC	4-hydroxy-3,3,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one
Molecular Weight	388.45
Pubchem Id	16196969
Chembl Id	CHEMBL1311580

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	BXGT008148	Intestinal-type alkaline phosphatase 1	reviewed		Alpi	-	9130	-	-
reviewed	BXGT006942	Intestinal-type alkaline phosphatase	reviewed	Enzyme	ALPI	-	>100000	-	-
reviewed	BXGT007603	Alkaline phosphatase, germ cell type	reviewed	Enzyme	ALPG	-	>100000	-	-
reviewed	BXGT006338	Alkaline phosphatase, tissue-nonspecific isozyme	reviewed	Enzyme	ALPL	-	>100000	-	-

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
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	31622	nM
P05186	BXGT006338	Alkaline phosphatase, tissue-nonspecific isozyme	reviewed	Enzyme	ALPL	IC50	'>'	100000	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	79432	nM
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	25118	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	79432	nM
P24822	BXGT008996	Intestinal-type alkaline phosphatase	reviewed	-	Iap	IC50	'='	9130	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	2059	nM
P10696	BXGT007603	Alkaline phosphatase, germ cell type	reviewed	Enzyme	ALPG	IC50	'>'	100000	nM
P09923	BXGT006942	Intestinal-type alkaline phosphatase	reviewed	Enzyme	ALPI	IC50	'>'	100000	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	31622	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	28183	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	50118	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00806	Alcoholic beverages		Beverages
BXGF00823	Fruits		Fruits

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}