acompound

Showing entry for (4R,12Bs)-7,9-Dimethoxy-3-Methyl-2,4,7A,13-Tetrahydro-1H-4,12-Methanobenzofuro[3,2-E]Isoquinoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042365
Compound Name	(4R,12Bs)-7,9-Dimethoxy-3-Methyl-2,4,7A,13-Tetrahydro-1H-4,12-Methanobenzofuro[3,2-E]Isoquinoline
Structure
Formula	C19H21NO3
InchiKey	FQXXSQDCDRQNQE-WRGHYRGKSA-N
SMILES	COC1=CC=C2[C@@]34C1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC
Inchi	InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18?,19+/m1/s1
IUPAC	(4R,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular Weight	311.15
Pubchem Id	5321926
Chembl Id	CHEMBL1318110

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

n.a

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

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
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	100000	nM
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	31622	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF02672	Papaver commutatum	Papaver commutatum	Medicinal Plant
BXGF04977	Papaver sommiferum	Papaver sommiferum	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}