acompound

Showing entry for solasodine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033766
Compound Name	solasodine
Structure
Formula	C27H43NO2
InchiKey	KWVISVAMQJWJSZ-DXZIWIJNSA-N
SMILES	CC1CC[C@@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Inchi	InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
IUPAC
Molecular Weight	413.33
Pubchem Id	16061352
Chembl Id	CHEMBL372484

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

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	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	207	-	-	-
reviewed	BXGT013543	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	Enzyme	EBP	>100000	-	-	-
reviewed	BXGT009627	C-8 sterol isomerase	reviewed		ERG2	1170	-	-	-

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
P32352	BXGT009627	C-8 sterol isomerase	reviewed	-	ERG2	Ki	'='	1170	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	207	nM
Q15125	BXGT013543	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	Enzyme	EBP	Ki	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03398	Solanum nigrum	Solanum nigrum	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}