acompound

Showing entry for Isoneorautenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029525
Compound Name	Isoneorautenol
Structure
Formula	C20H18O4
InchiKey	WTKJOOHYNMPGLE-KXBFYZLASA-N
SMILES	Oc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1cc1c(c2)OC(C=C1)(C)C
Inchi	InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
IUPAC
Molecular Weight	322.12
Pubchem Id	821442
Chembl Id	CHEMBL1098729

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	BXGT007573	Sialidase	reviewed		nanH	10960	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	14120	-	-
reviewed	BXGT007427	Sialidase	reviewed		nanH	-	64750	-	-

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
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	'='	91	%
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	'='	9	%
P0C6E9	BXGT007427	Sialidase	reviewed	-	nanH	IC50	'='	64750	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	10960	nM
P0C6E9	BXGT007427	Sialidase	reviewed	-	nanH	Activity	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	14120	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04309	Pteris multifida	Pteris multifida	Medicinal Plant
BXGF05101	Swietenia mahagoni	Swietenia mahagoni	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}