acompound

Showing entry for Vaticanol A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019011
Compound Name	Vaticanol A
Structure
Formula	C42H32O9
InchiKey	MBGBQHRAJPLAPN-WTEBWGKASA-N
SMILES	Oc1ccc(cc1)[C@@H]1c2c(O)cc(cc2[C@@H]2c3c4[C@H]1[C@H](c1ccc(cc1)O)[C@H](c4c(cc3O[C@H]2c1ccc(cc1)O)O)c1cc(O)cc(c1)O)O
Inchi	InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42+/m1/s1
IUPAC
Molecular Weight	680.2
Pubchem Id	44566412
Chembl Id	CHEMBL508745

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	-	218000	-	-
reviewed	BXGT008901	Sucrase-isomaltase, intestinal	reviewed		Si	-	148000	-	-
reviewed	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	23700	-	-

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
Q6P7A9	BXGT016460	Lysosomal alpha-glucosidase	reviewed	-	Gaa	IC50	'='	218000	nM
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	23700	nM
P23739	BXGT008901	Sucrase-isomaltase, intestinal	reviewed	-	Si	IC50	'='	148000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01022	Heliotropium hirsutum	Heliotropium hirsutum	Medicinal Plant
BXGF01088	Maytenus imbricata	Maytenus imbricata	Others
BXGF01176	Curcuma xanthorrhiza	Curcuma xanthorrhiza	Medicinal Plant
BXGF01595	Senecio toluccanus	Senecio toluccanus	Human Edible Plant
BXGF02085	Sideritis chamaedryfolia	Sideritis chamaedryfolia	Others
BXGF02565	Piper caninum	Piper caninum	Medicinal Plant
BXGF04065	Vatica rassak	Vatica rassak	Medicinal Plant
BXGF05507	Eupatorium glutinosum	Eupatorium glutinosum	Others
BXGF05666	Polyalthia evecta	Polyalthia evecta	Human Edible Plant
BXGF06219	Cotula filicula	Cotula filicula	Others
BXGF06289	Leucosceptrum canum	Leucosceptrum canum	Medicinal Plant
BXGF06290	Cinnamosma macrocarpa	Cinnamosma macrocarpa	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}