acompound

General Compound Information
BXGC Id	BXGC0027697
Compound Name	uncarine E
Structure
Formula	C21H24N2O4
InchiKey	JMIAZDVHNCCPDM-PFDNRQJHSA-N
SMILES	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]1N(C2)CC[C@]21C(=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)/t12-,13-,14-,18-,21-/m0/s1
IUPAC	methyl (1S,4aS,5aS,6S,10aS)-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	9885603
Chembl Id	CHEMBL562222

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
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	4466	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	112201	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	29092	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00954	Ixeris chinensis	Ixeris chinensis	Medicinal Plant
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF02095	Mitragyna speciosa	Mitragyna speciosa	Medicinal Plant
BXGF02256	Rumex chalepensis	Rumex chalepensis	Others
BXGF02983	Penstemon gentianoides	Penstemon gentianoides	Medicinal Plant
BXGF03777	Uncaria sterrophylla	Uncaria sterrophylla	Human Edible Plant
BXGF04040	Uncaria laevigata	Uncaria laevigata	Medicinal Plant
BXGF04067	Anthyllis onobrychoides	Anthyllis onobrychoides	Others
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
BXGF05237	Knautia montana	Knautia montana	Others
BXGF05382	Lagerstroemia speciosa	Lagerstroemia speciosa	Medicinal Plant
BXGF05597	Picris conyzoides	Picris conyzoides	Others
BXGF06025	Euphorbia pannonica	Euphorbia pannonica	Others
BXGF06048	Cryptocarya lividula	Cryptocarya lividula	Others
BXGF06214	Uncaria gambir	Uncaria gambir	Medicinal Plant
BXGF06315	Uncaria donisii	Uncaria donisii	Others

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}