acompound

Showing entry for IRYANTHERIN K

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034818
Compound Name	IRYANTHERIN K
Structure
Formula	C35H38O7
InchiKey	YMKNHLSWQAAXRA-QJTKOPTISA-N
SMILES	COc1cc(O)c(c(c1C(=O)CCc1ccc(cc1)OC)O)[C@H]([C@H]([C@@H](Cc1ccc(cc1)O)C)C)c1ccc(cc1)O
Inchi	InChI=1S/C35H38O7/c1-21(19-24-5-12-26(36)13-6-24)22(2)32(25-10-14-27(37)15-11-25)34-30(39)20-31(42-4)33(35(34)40)29(38)18-9-23-7-16-28(41-3)17-8-23/h5-8,10-17,20-22,32,36-37,39-40H,9,18-19H2,1-4H3/t21-,22+,32-/m1/s1
IUPAC	1-[3-[(1R,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-methoxyphenyl)propan-1-one
Molecular Weight	570.26
Pubchem Id	10348018
Chembl Id	CHEMBL450915

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	77	%
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	10	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04434	Iryanthera lancifolia	Iryanthera lancifolia	Others

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}