acompound

Showing entry for dehydrodiconiferyl alcohol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036535
Compound Name	dehydrodiconiferyl alcohol
Structure
Formula	C20H22O6
InchiKey	KUSXBOZNRPQEON-ONEGZZNKSA-N
SMILES	OC/C=C/c1cc2c(c(c1)OC)OC(C2CO)c1ccc(c(c1)OC)O
Inchi	InChI=1S/C20H22O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-6,8-10,15,19,21-23H,7,11H2,1-2H3/b4-3+
IUPAC	4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
Molecular Weight	358.14
Pubchem Id	5372367
Chembl Id	CHEMBL4163889

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
Q8C078	BXGT026114	Calcium/calmodulin-dependent protein kinase kinase 2	reviewed	-	Camkk2	Inhibition	-	-	-
P19785	BXGT008514	Estrogen receptor	reviewed	-	Esr1	Activity	-	-	-
Q9Z1B7	BXGT022403	Mitogen-activated protein kinase 13	reviewed	-	Mapk13	Inhibition	-	-	-
Q9WUI1	BXGT021940	Mitogen-activated protein kinase 11	reviewed	-	Mapk11	Inhibition	-	-	-
O08911	BXGT004043	Mitogen-activated protein kinase 12	reviewed	-	Mapk12	Inhibition	-	-	-
P47811	BXGT010587	Mitogen-activated protein kinase 14	reviewed	-	Mapk14	Inhibition	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	'='	61	nM
Q5EG47	BXGT015344	5'-AMP-activated protein kinase catalytic subunit alpha-1	reviewed	-	Prkaa1	Activity	-	-	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	'='	286	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02468	Sambucus williamsii	Sambucus williamsii	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	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}