acompound

Showing entry for Escholtzine

General Compound Information
BXGC Id	BXGC0027656
Compound Name	Escholtzine
Structure
Formula	C19H17NO4
InchiKey	PGINMPJZCWDQNT-GJZGRUSLSA-N
SMILES	CN1[C@H]2Cc3c([C@@H]1Cc1c2cc2OCOc2c1)cc1c(c3)OCO1
Inchi	InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m0/s1
IUPAC
Molecular Weight	323.12
Pubchem Id	12304178
Chembl Id	CHEMBL481839

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

50259677

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	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	-	-	-	11000
reviewed	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	6000	-	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	13400	-	-

CHEMBL

CHEMBL481839

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
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	EC50	'='	11000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	13400	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	'='	6000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00405	Quinoa	Chenopodium quinoa	Herbs and Spices
BXGF01025	Andira retusa	Andira retusa	Others
BXGF01105	Baeckea frutescens	Baeckea frutescens	Medicinal Plant
BXGF01198	Marrubium parviflorum	Marrubium parviflorum	Others
BXGF01249	Dyssodia anthemidifolia	Dyssodia anthemidifolia	Others
BXGF01285	Psathyrotes ramosissima	Psathyrotes ramosissima	Others
BXGF01298	Lychnophora pinaster	Lychnophora pinaster	Others
BXGF01486	Lespedeza maximowiczi	Lespedeza maximowiczi	Others
BXGF01569	Coprosma foetidissima	Coprosma foetidissima	Medicinal Plant
BXGF01659	Microglossa pyrifolia	Microglossa pyrifolia	Medicinal Plant
BXGF01759	Parthenium confertum	Parthenium confertum	Others
BXGF01796	Harpullia cupanioides	Harpullia cupanioides	Others
BXGF01819	Trifolium diffusum	Trifolium diffusum	Others
BXGF01825	Youngia japonica	Youngia japonica	Medicinal Plant
BXGF01847	Eriocephalus kingesii	Eriocephalus kingesii	Others
BXGF01877	Balanophora polyandra	Balanophora polyandra	Medicinal Plant
BXGF01923	Lilium rubrum	Lilium rubrum	Others
BXGF01943	Lobelia syphilitica	Lobelia syphilitica	Others
BXGF02010	Cryptocarya chinensis	Cryptocarya chinensis	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02184	Panicum crus-galli	Panicum crus-galli	Medicinal Plant
BXGF02210	Scleropyrum wallichianum	Scleropyrum wallichianum	Medicinal Plant
BXGF02862	Isodon eriocalyx	Isodon eriocalyx	Others
BXGF02890	Veronica stricta	Veronica stricta	Others
BXGF03134	Zanthoxylum ocumarense	Zanthoxylum ocumarense	Others
BXGF04189	Phymatopteris hastata	Phymatopteris hastata	Others
BXGF05106	Geranium collinum	Geranium collinum	Others
BXGF05384	Polygonatum polyanthemum	Polygonatum polyanthemum	Others
BXGF05607	Chenopodiastrum murale	Chenopodiastrum murale	Medicinal Plant
BXGF05610	Girgensohnia oppositiflora	Girgensohnia oppositiflora	Others
BXGF05771	Davidsonia pruriens	Davidsonia pruriens	Human Edible Plant
BXGF06065	Aralia hispida	Aralia hispida	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}