acompound

Showing entry for Genipin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027862
Compound Name	Genipin
Structure
Formula	C11H14O5
InchiKey	AZKVWQKMDGGDSV-BCMRRPTOSA-N
SMILES	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
Inchi	InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
IUPAC	methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Weight	226.08
Pubchem Id	442424
Chembl Id	CHEMBL459016

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
P60033	BXGT011286	CD81 antigen	reviewed	-	CD81	Activity	-	-	-
P18146	BXGT008384	Early growth response protein 1	reviewed	Nucleic acid binding	EGR1	Activity	-	-	-
P15289	BXGT008102	Arylsulfatase A	reviewed	Enzyme	ARSA	Potency	-	21331	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	29934	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02583	Hedyotis diffusae herba	Hedyotis diffusae herba	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}