acompound

Showing entry for Beta-Sitostenone

General Compound Information
BXGC Id	BXGC0027070
Compound Name	Beta-Sitostenone
Structure
Formula	C29H48O
InchiKey	KYOFIJXMVNQYFC-XJZKHKOHSA-N
SMILES	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2)C
Inchi	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
IUPAC	(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Weight	412.37
Pubchem Id	9801811
Chembl Id	CHEMBL221543

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

CHEMBL221543

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
P07339	BXGT006604	Cathepsin D	reviewed	Enzyme	CTSD	IC50	'='	9400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00996	Verbascum fruticulosum	Verbascum fruticulosum	Others
BXGF01445	Acronychia laurifolia	Acronychia laurifolia	Medicinal Plant
BXGF01587	Talipariti tiliaceum	Talipariti tiliaceum	Medicinal Plant
BXGF01637	Gynura segetum	Gynura segetum	Medicinal Plant
BXGF02010	Cryptocarya chinensis	Cryptocarya chinensis	Medicinal Plant
BXGF02176	Pseudotsuga sinensis var. wilsoniana	Pseudotsuga sinensis var. wilsoniana	Others
BXGF02399	Callicarpa pilosissima	Callicarpa pilosissima	Others
BXGF02896	Maprounea guianensis	Maprounea guianensis	Others
BXGF02933	Hosta sieboldiana	Hosta sieboldiana	Medicinal Plant
BXGF03433	Inula salsoloides	Inula salsoloides	Others
BXGF03461	Microtropis fokienensis	Microtropis fokienensis	Others
BXGF03557	Eutrochium purpureum	Eutrochium purpureum	Medicinal Plant
BXGF03829	Morinda coreia	Morinda coreia	Medicinal Plant
BXGF03837	Casearia membranacea	Casearia membranacea	Medicinal Plant
BXGF03914	Jacobaea cannabifolia	Jacobaea cannabifolia	Others
BXGF03960	Conium maculatum	Conium maculatum	Medicinal Plant
BXGF03979	Aglaia pyramidata	Aglaia pyramidata	Others
BXGF03992	Schrebera swietenoides	Schrebera swietenoides	Human Edible Plant
BXGF04008	Senecio gilliesi	Senecio gilliesi	Others
BXGF04020	Celastrus monospermus	Celastrus monospermus	Others
BXGF04078	Solanum spirale	Solanum spirale	Medicinal Plant
BXGF04101	Agave deserti	Agave deserti	Human Edible Plant
BXGF04111	Asclepias subulata	Asclepias subulata	Medicinal Plant
BXGF04201	Zanthoxylum simulans	Zanthoxylum simulans	Medicinal Plant
BXGF04354	Sophora leachiana	Sophora leachiana	Medicinal Plant
BXGF04566	Neonotonia wightii	Neonotonia wightii	Human Edible Plant
BXGF04702	Vernonia lilacina	Vernonia lilacina	Others
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF04929	Passiflora morifolia	Passiflora morifolia	Human Edible Plant
BXGF04932	Heliotropium bovei	Heliotropium bovei	Others
BXGF05186	Hortonia floribunda	Hortonia floribunda	Others
BXGF05824	Embelia barbeyana	Embelia barbeyana	Medicinal Plant
BXGF05922	Cytisus caramanicus	Cytisus caramanicus	Others
BXGF05923	Peritassa campestris	Peritassa campestris	Human Edible Plant
BXGF05958	Lepechinia caulescens	Lepechinia caulescens	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}