acompound

Showing entry for Auriculasin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022012
Compound Name	Auriculasin
Structure
Formula	C25H24O6
InchiKey	PSEBCAMYGWGJMH-UHFFFAOYSA-N
SMILES	CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1occ(c2=O)c1ccc(c(c1)O)O)O)C
Inchi	InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
IUPAC	7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Molecular Weight	420.16
Pubchem Id	5358846
Chembl Id	CHEMBL459129

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	3600	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	4400	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	130	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	300	-	-

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	IC50	'='	300	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	3600	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Ki	'='	4400	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	130	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04640	Anthotroche myoporoides	Anthotroche myoporoides	Others
BXGF04657	Helenium virginicum	Helenium virginicum	Others
BXGF04676	Hypericum caprifoliatum	Hypericum caprifoliatum	Others
BXGF04682	Astragalus flexus	Astragalus flexus	Others
BXGF04686	Nannoglottis ravida	Nannoglottis ravida	Medicinal Plant
BXGF04769	Heliotropium digynum	Heliotropium digynum	Others
BXGF04816	Erythrina vogelii	Erythrina vogelii	Others
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	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}