acompound

Showing entry for Ingenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034835
Compound Name	Ingenol
Structure
Formula	C20H28O5
InchiKey	VEBVPUXQAPLADL-POYOOMFHSA-N
SMILES	OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C
Inchi	InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1
IUPAC
Molecular Weight	348.19
Pubchem Id	442042
Chembl Id	CHEMBL2165402

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-4	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00849	Thymus transcaucasicus	Thymus transcaucasicus	Others
BXGF00860	Bruguiera cylindrica	Bruguiera cylindrica	Medicinal Plant
BXGF00988	Plantago uniflora	Plantago uniflora	Others
BXGF01027	Kalanchoe marmorata	Kalanchoe marmorata	Others
BXGF02217	Euphorbia fischeriana	Euphorbia fischeriana	Medicinal Plant
BXGF03860	Machilus robusta	Machilus robusta	Others
BXGF04922	Euphorbia ebracteolata	Euphorbia ebracteolata	Medicinal Plant
BXGF05243	Thymus magnus	Thymus magnus	Medicinal Plant
BXGF05284	Ecbolium linneanum	Ecbolium linneanum	Medicinal Plant
BXGF05416	Euphorbia lathyris	Euphorbia lathyris	Medicinal Plant
BXGF05493	Jacobaea arnautorum	Jacobaea arnautorum	Others
BXGF05996	Pseudophegopteris subaurita	Pseudophegopteris subaurita	Medicinal Plant
BXGF06303	Symphytum tuberosum	Symphytum tuberosum	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}