acompound

Showing entry for Serpentine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031104
Compound Name	Serpentine
Structure
Formula	C21H20N2O3
InchiKey	WYTGDNHDOZPMIW-VBNZEHGJSA-P
SMILES	COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1Cc1[n+](C2)ccc2=c3c(=[NH+]c12)cccc3)C
Inchi	InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+2/t12-,15-,16+/m0/s1
IUPAC
Molecular Weight	350.16
Pubchem Id	44269807
Chembl Id

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	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	2200	-	-	-

CHEMBL

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00171	Garden tomato	Solanum lycopersicum	Vegetables
BXGF03580	Urtica dioica	Urtica dioica	Medicinal Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05814	Rauvolfia serpentina	Rauvolfia serpentina	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}