acompound

Showing entry for sarpagine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033125
Compound Name	sarpagine
Structure
Formula	C19H22N2O2
InchiKey	VTVQHYQGTTVKDE-QDHOPYFXSA-N
SMILES	OC[C@H]1[C@@H]2Cc3c([C@H]4N2C/C(=C/C)/[C@H]1C4)[nH]c1c3cc(O)cc1
Inchi	InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15-,17+,18+/m1/s1
IUPAC
Molecular Weight	310.17
Pubchem Id	44592554
Chembl Id	CHEMBL498733

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

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	IC50	'>'	200	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03363	Hypericum japonicum	Hypericum japonicum	Medicinal Plant
BXGF05814	Rauvolfia serpentina	Rauvolfia serpentina	Medicinal Plant
BXGF06227	Rauvolfia vomitoria	Rauvolfia vomitoria	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}