acompound

Showing entry for Ampelopsin C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023512
Compound Name	Ampelopsin C
Structure
Formula	C42H32O9
InchiKey	QDEHKEFWCRAFDN-DMGQSWNOSA-N
SMILES	Oc1ccc(cc1)[C@H]1c2c(O)cc(cc2[C@H]2c3c4[C@@H]1[C@@H](c1cc(O)cc(c1)O)[C@@H](c4c(cc3O[C@@H]2c1ccc(cc1)O)O)c1ccc(cc1)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)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40-,42+/m0/s1
IUPAC
Molecular Weight	680.2
Pubchem Id	44583909
Chembl Id	CHEMBL466300

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

n.a

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

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
P56818	BXGT011201	Beta-secretase 1	reviewed	-	Bace1	Inhibition	-	-	-
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	-	-	-
P78536	BXGT011847	Disintegrin and metalloproteinase domain-containing protein 17	reviewed	-	ADAM17	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06137	Aconitum burnatii	Aconitum burnatii	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}