acompound

Showing entry for Gymnasterkoreayne A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022673
Compound Name	Gymnasterkoreayne A
Structure
Formula	C10H12O2
InchiKey	ZIRUVVYZSHKYCQ-PBKGFPTLSA-N
SMILES	OCC[C@H](C#CC#C/C=C/C)O
Inchi	InChI=1S/C10H12O2/c1-2-3-4-5-6-7-10(12)8-9-11/h2-3,10-12H,8-9H2,1H3/b3-2+/t10-/m0/s1
IUPAC	(E,3R)-dec-8-en-4,6-diyne-1,3-diol
Molecular Weight	164.08
Pubchem Id	636738
Chembl Id	CHEMBL463634

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	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	>30000	-	-

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'>'	30000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01893	Bonnetia dinizii	Bonnetia dinizii	Others
BXGF02690	Raukaua simplex	Raukaua simplex	Others
BXGF03160	Baccharis thesioides	Baccharis thesioides	Others
BXGF03693	Aster koraiensis	Aster koraiensis	Medicinal Plant
BXGF05457	Veronica chamaedrys	Veronica chamaedrys	Medicinal Plant
BXGF05894	Vitex agnus-castus	Vitex agnus-castus	Medicinal Plant
BXGF06212	Glycosmis ovoidea	Glycosmis ovoidea	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}