acompound

Showing entry for 4-[(3R,5R)-3,5-Dihydroxy-7-(4-Hydroxyphenyl)Heptyl]Benzene-1,2-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023279
Compound Name	4-[(3R,5R)-3,5-Dihydroxy-7-(4-Hydroxyphenyl)Heptyl]Benzene-1,2-Diol
Structure
Formula	C19H24O5
InchiKey	XLTITIJKWVRJMS-IAGOWNOFSA-N
SMILES	O[C@@H](C[C@@H](CCc1ccc(c(c1)O)O)O)CCc1ccc(cc1)O
Inchi	InChI=1S/C19H24O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,16-17,20-24H,3-4,8-9,12H2/t16-,17-/m1/s1
IUPAC	4-[(3R,5R)-3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
Molecular Weight	332.16
Pubchem Id	636849
Chembl Id	CHEMBL443638

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'<'	17	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01594	Tacca chantrieri	Tacca chantrieri	Medicinal Plant
BXGF02113	Anthriscus sylvestris	Anthriscus sylvestris	Medicinal Plant
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	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}