acompound

Showing entry for Sarsasapogenin

General Compound Information
BXGC Id	BXGC0000841
Compound Name	Sarsasapogenin
Structure
Formula	C27H44O3
InchiKey	GMBQZIIUCVWOCD-WWASVFFGSA-N
SMILES	[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2
Inchi	InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
IUPAC	(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,?.0?,?.013,1?]icosane]-16'-ol
Molecular Weight	416.65
Pubchem Id	92095
Chembl Id	CHEMBL1171146

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

50442865

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
reviewed	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	-	105	-	-
reviewed	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	-	245	-	-
reviewed	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	80	-	-	-
reviewed	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	130	-	-	-

CHEMBL

CHEMBL1171146

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	50	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-3	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-2	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	IC50	'='	245	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	IC50	'='	104	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Ki	'='	80	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	25	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'='	16	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Ki	'='	130	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00021	Asparagus	Asparagus officinalis	Vegetables
BXGF00186	Fenugreek	Trigonella foenum-graecum	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00962	Machilus thunbergii	Machilus thunbergii	Medicinal Plant
BXGF01214	Asparagus cochinchinensis	Asparagus cochinchinensis	Medicinal Plant
BXGF01282	Amomum zambesiacum	Amomum zambesiacum	Others
BXGF01824	Alisma plantago-aquatica	Alisma plantago-aquatica	Medicinal Plant
BXGF02150	Rhododendron ponticum	Rhododendron ponticum	Medicinal Plant
BXGF02394	Viguiera dentata	Viguiera dentata	Others
BXGF02564	Ferula transiliensis	Ferula transiliensis	Others
BXGF02588	Buckiella undulata	Buckiella undulata	Others
BXGF02712	Artemisia aucheri	Artemisia aucheri	Others
BXGF02823	Cassia dentata	Cassia dentata	Medicinal Plant
BXGF02976	Yucca gloriosa	Yucca gloriosa	Medicinal Plant
BXGF02999	Prunus sibirica	Prunus sibirica	Medicinal Plant
BXGF03000	Ambrosia cumanensis	Ambrosia cumanensis	Others
BXGF03035	Euonymus pendulus	Euonymus pendulus	Others
BXGF03124	Fraxinus angustifolia	Fraxinus angustifolia	Medicinal Plant
BXGF03168	Dioscorea cirrhosa	Dioscorea cirrhosa	Human Edible Plant
BXGF03195	Isatis costata	Isatis costata	Others
BXGF03218	Helichrysum anomalum	Helichrysum anomalum	Others
BXGF03322	Clausena anisum-olens	Clausena anisum-olens	Human Edible Plant
BXGF03388	Hippomane mancinella	Hippomane mancinella	Others
BXGF03399	Echinops bannaticus	Echinops bannaticus	Others
BXGF03447	Euphorbia lamprocarpa	Euphorbia lamprocarpa	Others
BXGF03492	Speranskia tuberculata	Speranskia tuberculata	Others
BXGF03519	Licaria mahuba	Licaria mahuba	Others
BXGF03565	Genista hystrix	Genista hystrix	Others
BXGF03573	Veronica hederifolia	Veronica hederifolia	Others
BXGF03596	Gypsophila patrini	Gypsophila patrini	Others
BXGF03603	Schefflera bodinieri	Schefflera bodinieri	Others
BXGF03654	Psoralea acaulis	Psoralea acaulis	Others
BXGF03984	Senecio roseus	Senecio roseus	Others
BXGF04303	Anemarrhena asphodeloides	Anemarrhena asphodeloides	Medicinal Plant
BXGF06322	Angostura granulosa	Angostura granulosa	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}