acompound

Showing entry for Cumingianoside A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019377
Compound Name	Cumingianoside A
Structure
Formula	C40H66O12
InchiKey	LWBFDADHSVYUPS-VAEWVCEVSA-N
SMILES	CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)C[C@H]([C@@]1([C@@H]2CC[C@@]23[C@]1(CC[C@H]3[C@H](C[C@H]([C@@H](C(O)(C)C)O)O)C)C2)C)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O)C
Inchi	InChI=1S/C40H66O12/c1-20(16-24(43)33(47)36(6,7)48)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(50-22(3)42)35(4,5)27(37)17-29(38(26,40)9)52-34-32(46)31(45)30(44)25(51-34)18-49-21(2)41/h20,23-34,43-48H,10-19H2,1-9H3/t20-,23-,24+,25+,26+,27-,28+,29+,30+,31
IUPAC
Molecular Weight	738.46
Pubchem Id	10439987
Chembl Id	CHEMBL451574

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
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	12589	nM
P17861	BXGT008348	X-box-binding protein 1	reviewed	-	XBP1	IC50	'='	9470	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	891	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	17782	nM
P35639	BXGT009858	DNA damage-inducible transcript 3 protein	reviewed	-	Ddit3	IC50	'>'	5960	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	25118	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	35481	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	2238	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	3162	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	100	nM
P42858	BXGT010341	Huntingtin	reviewed	-	HTT	Potency	'='	35481	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	16360	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	4466	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	7307	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	3162	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01302	Dysoxylum cumingianum	Dysoxylum cumingianum	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}