acompound

Showing entry for Salaspermic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036254
Compound Name	Salaspermic Acid
Structure
Formula	C30H48O4
InchiKey	ZXENWDWQTWYUGY-RFBMWCEQSA-N
SMILES	C[C@H]1[C@@]2(O)CC[C@@H]3[C@@]1(CC[C@H]1[C@@]3(C)CC[C@@]3([C@]1(C)CC[C@@]1([C@H]3C[C@](CC1)(C)C(=O)O)C)C)CO2
Inchi	InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
IUPAC
Molecular Weight	472.36
Pubchem Id	44576111
Chembl Id	CHEMBL483649

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	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	>100000	-	-

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Inhibition	'='	96	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	EC50	'='	15	ug.mL-1
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	EC50	'>'	100	ug.mL-1
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	EC50	'='	16	ug.mL-1
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	Inhibition	'='	2	%
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'>'	100000	nM
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	EC50	'='	75	ug.mL-1
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	-	-	-
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Inhibition	'='	63	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01667	Tripterygium wilfordii	Tripterygium wilfordii	Medicinal Plant
BXGF01797	Maytenus laevis	Maytenus laevis	Human Edible Plant
BXGF04635	Kokoona ochracea	Kokoona ochracea	Medicinal Plant
BXGF05849	Salacia chinensis	Salacia chinensis	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}