acompound

Showing entry for Phyllanthin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051235
Compound Name	Phyllanthin
Structure
Formula	C24H34O6
InchiKey	KFLQGJQSLUYUBF-PMACEKPBSA-N
SMILES	COC[C@@H]([C@@H](Cc1ccc(c(c1)OC)OC)COC)Cc1ccc(c(c1)OC)OC
Inchi	InChI=1S/C24H34O6/c1-25-15-19(11-17-7-9-21(27-3)23(13-17)29-5)20(16-26-2)12-18-8-10-22(28-4)24(14-18)30-6/h7-10,13-14,19-20H,11-12,15-16H2,1-6H3/t19-,20-/m0/s1
IUPAC	4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
Molecular Weight	418.24
Pubchem Id	9953821
Chembl Id	CHEMBL453568

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	BXGT009130	Endothelin-1 receptor	reviewed		Ednra	-	>1000000	-	-
reviewed	BXGT009018	Endothelin-1 receptor	reviewed	G-protein coupled receptor	EDNRA	-	>1000000	-	-
reviewed	BXGT008975	Endothelin receptor type B	reviewed	G-protein coupled receptor	EDNRB	-	>500000	-	-

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
P25101	BXGT009018	Endothelin-1 receptor	reviewed	G-protein coupled receptor	EDNRA	IC50	'>'	1000000	nM
P24530	BXGT008975	Endothelin receptor type B	reviewed	G-protein coupled receptor	EDNRB	IC50	'>'	500000	nM
O14746	BXGT004091	Telomerase reverse transcriptase	reviewed	Enzyme	TERT	Inhibition	-	-	-
P26684	BXGT009130	Endothelin-1 receptor	reviewed	-	Ednra	IC50	'>'	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02049	Angelica sinensis	Angelica sinensis	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}