acompound

Showing entry for Soyasapogenol B-1

General Compound Information
BXGC Id	BXGC0003408
Compound Name	Soyasapogenol B-1
Structure
Formula	C30H50O3
InchiKey	YOQAQNKGFOLRGT-UXXABWCISA-N
SMILES	[H][C@]1(O)CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)C[C@@]([H])(O)[C@]4(C)CC[C@@]32C)[C@@]1(C)CO
Inchi	InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
IUPAC	(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,9-diol
Molecular Weight	458.73
Pubchem Id	115012
Chembl Id	CHEMBL1762007

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

CHEMBL1762007

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Activity	'='	26	pmol/min
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Inhibition	-	-	-
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Activity	'='	26	pmol/min
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Activity	'='	27	pmol/min
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Activity	'='	27	pmol/min

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00085	Soy bean	Glycine max	Soy
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF00861	Abies pinsapo var. marocana	Abies pinsapo var. marocana	Others
BXGF01632	Euphrasia genargentea	Euphrasia genargentea	Others
BXGF01892	Xanthorhiza simplicissima	Xanthorhiza simplicissima	Medicinal Plant
BXGF03152	Sophora japonica	Sophora japonica	Medicinal Plant
BXGF03231	Dactylorhiza viridis	Dactylorhiza viridis	Others
BXGF03271	Pterolobium hexapetalum	Pterolobium hexapetalum	Medicinal Plant
BXGF03813	Diplopterygium glaucum	Diplopterygium glaucum	Others
BXGF04296	Maytenus chuchuhuasha	Maytenus chuchuhuasha	Others
BXGF04458	Oxytropis falcata	Oxytropis falcata	Others
BXGF04640	Anthotroche myoporoides	Anthotroche myoporoides	Others
BXGF04657	Helenium virginicum	Helenium virginicum	Others
BXGF04676	Hypericum caprifoliatum	Hypericum caprifoliatum	Others
BXGF04682	Astragalus flexus	Astragalus flexus	Others
BXGF04686	Nannoglottis ravida	Nannoglottis ravida	Medicinal Plant
BXGF04769	Heliotropium digynum	Heliotropium digynum	Others
BXGF04816	Erythrina vogelii	Erythrina vogelii	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF05009	Solanum lanceolatum	Solanum lanceolatum	Medicinal Plant
BXGF05067	Bryonia alba	Bryonia alba	Medicinal Plant
BXGF05141	Viburnum erubescens	Viburnum erubescens	Medicinal Plant
BXGF05293	Remirea maritima	Remirea maritima	Others
BXGF05364	Arnica mollis	Arnica mollis	Others
BXGF05498	Croton gratissimus	Croton gratissimus	Medicinal Plant
BXGF05559	Wikstroemia viridiflora	Wikstroemia viridiflora	Medicinal Plant
BXGF05584	Brassica carinata	Brassica carinata	Medicinal Plant
BXGF05725	Ranunculus asiaticus	Ranunculus asiaticus	Others
BXGF05736	Eurycoma harmandiana	Eurycoma harmandiana	Medicinal Plant
BXGF05840	Eucalyptus resinifera	Eucalyptus resinifera	Medicinal Plant
BXGF05990	Carpha glomerata	Carpha glomerata	Others
BXGF06093	Cyanostegia angustifolia	Cyanostegia angustifolia	Others
BXGF06149	Orthosiphon spicatus	Orthosiphon spicatus	Medicinal Plant
BXGF06254	Lysimachia fordiana	Lysimachia fordiana	Others
BXGF06278	Ampelocera edentula	Ampelocera edentula	Others
BXGF06304	Ixeris debilis	Ixeris debilis	Others
BXGF06329	Abies excelsa	Abies excelsa	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}