acompound

Showing entry for uncarine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023570
Compound Name	uncarine A
Structure
Formula	C21H24N2O4
InchiKey	JMIAZDVHNCCPDM-DQDWJNSRSA-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+/m1/s1
IUPAC	methyl (1R,4aS,5aS,6S,10aR)-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	188999
Chembl Id	CHEMBL2355088

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
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	28183	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02912	Ficus nervosa	Ficus nervosa	Human Edible Plant
BXGF04391	Prosopis spicigera	Prosopis spicigera	Medicinal Plant
BXGF04418	Drymaria cordata	Drymaria cordata	Medicinal Plant
BXGF04475	Caralluma stalagmifera	Caralluma stalagmifera	Others
BXGF04514	Ageratina tomentella	Ageratina tomentella	Others
BXGF04561	Anisopappus pinnatifidus	Anisopappus pinnatifidus	Others
BXGF04629	Rubus xanthocarpus	Rubus xanthocarpus	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF06142	Euthamia graminifolia	Euthamia graminifolia	Medicinal Plant
BXGF06214	Uncaria gambir	Uncaria gambir	Medicinal Plant
BXGF06277	Vincetoxicum hirundinaria	Vincetoxicum hirundinaria	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}