acompound

General Compound Information
BXGC Id	BXGC0050953
Compound Name	Bufogenin
Structure
Formula	C24H32O4
InchiKey	ATLJNLYIJOCWJE-CWMZOUAVSA-N
SMILES	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3C[C@@H]2c1ccc(=O)oc1)C)C
Inchi	InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1
IUPAC
Molecular Weight	384.23
Pubchem Id	6917974
Chembl Id	CHEMBL250172

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
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	7943	nM
P25094	BXGT009014	Peripheral myelin protein 22	reviewed	-	Pmp22	Potency	-	28695	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	13335	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	31622	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	1458	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	8414	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	14963	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29855	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00862	Phebalium ozothamnoides	Phebalium ozothamnoides	Others
BXGF00977	Vitex megapotamica	Vitex megapotamica	Human Edible Plant
BXGF01266	Dysoxylum lenticellatum	Dysoxylum lenticellatum	Others
BXGF01284	Saururus cernuus	Saururus cernuus	Medicinal Plant
BXGF01343	Strychnos fendleri	Strychnos fendleri	Others
BXGF01466	Halimeda macroloba	Halimeda macroloba	Others
BXGF01510	Cabucala madagascariensis	Cabucala madagascariensis	Others
BXGF02723	Hesperocyparis macrocarpa	Hesperocyparis macrocarpa	Others
BXGF02848	Buxus sempervirens	Buxus sempervirens	Medicinal Plant
BXGF03270	Aruncus dioicus	Aruncus dioicus	Medicinal Plant
BXGF03442	Rhaponticum carthamoides	Rhaponticum carthamoides	Medicinal Plant
BXGF03924	Kochia trichophylla	Kochia trichophylla	Others
BXGF04191	Vicia villosa	Vicia villosa	Medicinal Plant
BXGF04378	Entada rheedei	Entada rheedei	Medicinal Plant
BXGF04830	Artemisia oranensis	Artemisia oranensis	Others
BXGF05193	Piper futokadsura	Piper futokadsura	Others
BXGF05516	Psorothamnus spinosus	Psorothamnus spinosus	Others
BXGF05692	Potentilla multifida	Potentilla multifida	Medicinal Plant
BXGF05859	Haplopappus venetus	Haplopappus venetus	Others
BXGF05925	Centaurea amara	Centaurea amara	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}