acompound

Showing entry for Glycyrol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005806
Compound Name	Glycyrol
Structure
Formula	C21H18O6
InchiKey	LWESBHWAOZORCQ-UHFFFAOYSA-N
SMILES	COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2
Inchi	InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3
IUPAC	5,14-dihydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.02,?.011,1?]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
Molecular Weight	366.36
Pubchem Id	5320083
Chembl Id	CHEMBL132695

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	18356	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	50118	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	14125	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	25118	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	25118	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	18356	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	25118	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	0	-
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	25118	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23109	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00002	Savoy cabbage	Brassica oleracea var. sabauda	Vegetables
BXGF00825	Root vegetables		Vegetables
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03450	Glycyrrhiza aspera	Glycyrrhiza aspera	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04978	Isatis indigotica	Isatis indigotica	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	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}