acompound

Showing entry for Encelin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0050206
Compound Name	Encelin
Structure
Formula	C15H16O3
InchiKey	LXMUZMFQJGRVFW-NDPMZMCLSA-N
SMILES	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)C=CC(=O)C1=C
Inchi	InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1
IUPAC	(3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
Molecular Weight	244.11
Pubchem Id	72540
Chembl Id	CHEMBL512400

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	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	400	-	-

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'='	400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01001	Espeletia moritziana	Espeletia moritziana	Others
BXGF01258	Vernonia leopoldi	Vernonia leopoldi	Others
BXGF01459	Brachylaena ramiflora	Brachylaena ramiflora	Others
BXGF01526	Kielmeyera albopunctata	Kielmeyera albopunctata	Others
BXGF03976	Nuxia oppositifolia	Nuxia oppositifolia	Others
BXGF05179	Asplenium septentrionale	Asplenium septentrionale	Medicinal Plant
BXGF05401	Colliguaja salicifolia	Colliguaja salicifolia	Others
BXGF05667	Myroxylon pereirae	Myroxylon pereirae	Others
BXGF05735	Achillea tuzsonii	Achillea tuzsonii	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}