acompound

Showing entry for Isopteropodin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036997
Compound Name	Isopteropodin
Structure
Formula	C21H24N2O4
InchiKey	JMIAZDVHNCCPDM-UHFFFAOYSA-N
SMILES	COC(=O)C1=COC(C2C1CC1N(C2)CCC21C(=Nc1c2cccc1)O)C
Inchi	InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)
IUPAC	methyl 1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Molecular Weight	368.17
Pubchem Id	98363
Chembl Id	CHEMBL1886339

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
P11308	BXGT007684	Transcriptional regulator ERG	reviewed	Transcription factor	ERG	Potency	-	12589	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF01901	Uncaria perrottetii	Uncaria perrottetii	Medicinal Plant
BXGF02475	Uncaria sessilifructus	Uncaria sessilifructus	Medicinal Plant
BXGF02824	Uncaria lancifolia	Uncaria lancifolia	Others
BXGF03655	Uncaria africana	Uncaria africana	Medicinal Plant
BXGF03777	Uncaria sterrophylla	Uncaria sterrophylla	Human Edible Plant
BXGF04040	Uncaria laevigata	Uncaria laevigata	Medicinal Plant
BXGF04259	Uncaria tomentosa	Uncaria tomentosa	Medicinal Plant
BXGF04622	Uncaria longiflora	Uncaria longiflora	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF05116	Uncaria guianensis	Uncaria guianensis	Medicinal Plant
BXGF05335	Uncaria elliptica	Uncaria elliptica	Medicinal Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF06214	Uncaria gambir	Uncaria gambir	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}