acompound

Showing entry for 8-demethylmaritidine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018789
Compound Name	8-demethylmaritidine
Structure
Formula	C16H19NO3
InchiKey	TZTBAJFJEZRQCV-RLCCDNCMSA-N
SMILES	COc1cc2c(cc1O)CN1[C@@H]3[C@@]2(C=C[C@H](C3)O)CC1
Inchi	InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m1/s1
IUPAC
Molecular Weight	273.14
Pubchem Id	443683
Chembl Id	CHEMBL2087242

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	BXGT004559	Acetylcholinesterase	reviewed		ache	-	57400	-	-

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	57400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01038	Eupatorium laevigatum	Eupatorium laevigatum	Medicinal Plant
BXGF01150	Viburnum lantana	Viburnum lantana	Medicinal Plant
BXGF01558	Ferula persica	Ferula persica	Medicinal Plant
BXGF01769	Artemisia juncea	Artemisia juncea	Others
BXGF02466	Ligularia przewalskii	Ligularia przewalskii	Others
BXGF02919	Stachys aegyptiaca	Stachys aegyptiaca	Others
BXGF02952	Hesperocyparis arizonica	Hesperocyparis arizonica	Others
BXGF05126	Crotalaria crispata	Crotalaria crispata	Medicinal Plant
BXGF06163	Atriplex parvifolia	Atriplex parvifolia	Others
BXGF06231	Haplopappus deserticola	Haplopappus deserticola	Medicinal Plant
BXGF06311	Crinum asiaticum	Crinum asiaticum	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}