acompound

Showing entry for Tupichinol C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051464
Compound Name	Tupichinol C
Structure
Formula	C15H14O3
InchiKey	YXMLGIGHGPSEKA-CQSZACIVSA-N
SMILES	Oc1ccc(cc1)[C@H]1CCc2c(O1)cc(cc2)O
Inchi	InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m1/s1
IUPAC	(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Molecular Weight	242.09
Pubchem Id	11064571
Chembl Id	CHEMBL463804

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	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	14700	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	26200	-	-

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
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	RBA	'='	0	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	'='	26200	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	RBA	'='	0	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	'='	14700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02193	Broussonetia kazinoki	Broussonetia kazinoki	Medicinal Plant
BXGF03142	Soymida febrifuga	Soymida febrifuga	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}