acompound

Showing entry for Acuminatin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053757
Compound Name	Acuminatin
Structure
Formula	C21H24O4
InchiKey	ITFKWUHXYCXXFF-XSOBDOKWSA-N
SMILES	C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@@H](O2)c1ccc(c(c1)OC)OC
Inchi	InChI=1S/C21H24O4/c1-6-7-14-10-16-13(2)20(25-21(16)19(11-14)24-5)15-8-9-17(22-3)18(12-15)23-4/h6-13,20H,1-5H3/b7-6+/t13-,20-/m1/s1
IUPAC	(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
Molecular Weight	340.17
Pubchem Id	6441048
Chembl Id	CHEMBL571195

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	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	223000	-	-
reviewed	BXGT011858	Prostaglandin G/H synthase 2	reviewed		PTGS2	-	28700	-	-

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
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'='	28700	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	223000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00962	Machilus thunbergii	Machilus thunbergii	Medicinal Plant
BXGF01031	Epimedium sagittatum	Epimedium sagittatum	Medicinal Plant
BXGF01609	Epimedium sempervirens	Epimedium sempervirens	Others
BXGF02370	Epimedium pubescens	Epimedium pubescens	Medicinal Plant
BXGF02457	Magnolia acuminata	Magnolia acuminata	Medicinal Plant
BXGF02881	Epimedium grandiflorum	Epimedium grandiflorum	Medicinal Plant
BXGF03583	Epimedium koreanum	Epimedium koreanum	Medicinal Plant
BXGF04431	Casuarina equisetifolia	Casuarina equisetifolia	Medicinal Plant
BXGF04480	Mollugo pentaphylla	Mollugo pentaphylla	Medicinal Plant
BXGF04665	Magnolia ovata	Magnolia ovata	Others
BXGF05353	Piper kadsura	Piper kadsura	Others
BXGF05370	Epimedium brevicornu	Epimedium brevicornu	Others
BXGF06161	Epimedium wushanense	Epimedium wushanense	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}