acompound

Showing entry for Vaticanol C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028931
Compound Name	Vaticanol C
Structure
Formula	C56H42O12
InchiKey	DTAYOOZOCCYGJM-UTFSVEQESA-N
SMILES	Oc1ccc(cc1)[C@@H]1[C@H]2[C@H](c3ccc(cc3)O)c3c([C@@H]1c1c2c2c(cc1O)O[C@H]([C@@H]2c1cc(O)cc(c1)O)c1ccc(cc1)O)c1c(cc3O)O[C@H]([C@@H]1c1cc(O)cc(c1)O)c1ccc(cc1)O
Inchi	InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-2
IUPAC
Molecular Weight	906.27
Pubchem Id	49866362
Chembl Id	CHEMBL1224887

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	BXGT016460	Lysosomal alpha-glucosidase	reviewed		Gaa	-	140000	-	-
reviewed	BXGT008901	Sucrase-isomaltase, intestinal	reviewed		Si	-	94200	-	-
reviewed	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	21200	-	-

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	21200	nM
Q6P7A9	BXGT016460	Lysosomal alpha-glucosidase	reviewed	-	Gaa	IC50	'='	140000	nM
P23739	BXGT008901	Sucrase-isomaltase, intestinal	reviewed	-	Si	IC50	'='	94200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04065	Vatica rassak	Vatica rassak	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}