acompound

Showing entry for Deoxymorellin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039127
Compound Name	Deoxymorellin
Structure
Formula	C33H38O6
InchiKey	VZQQLPACAVHZQT-HMEMLMEYSA-N
SMILES	CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1O[C@]13C(=C[C@@H]4C[C@H]1C(O[C@@]3(CC=C(C)C)C4=O)(C)C)C2=O)O)C
Inchi	InChI=1S/C33H38O6/c1-17(2)9-10-21-27-20(12-13-30(5,6)37-27)25(34)24-26(35)22-15-19-16-23-31(7,8)39-32(29(19)36,14-11-18(3)4)33(22,23)38-28(21)24/h9,11-13,15,19,23,34H,10,14,16H2,1-8H3/t19-,23+,32+,33-/m1/s1
IUPAC
Molecular Weight	530.27
Pubchem Id	11432549
Chembl Id	CHEMBL4088075

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	200000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01273	Ruscus hypoglossum	Ruscus hypoglossum	Medicinal Plant
BXGF01586	Garcinia hanburyi	Garcinia hanburyi	Medicinal Plant
BXGF01680	Croton discolor	Croton discolor	Others
BXGF01887	Salix babylonica	Salix babylonica	Medicinal Plant
BXGF02116	Vernonanthura discolor	Vernonanthura discolor	Others
BXGF02395	Callitriche stagnalis	Callitriche stagnalis	Human Edible Plant
BXGF02717	Wrightia coccinea	Wrightia coccinea	Others
BXGF02766	Scrophularia glabrata	Scrophularia glabrata	Others
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF02884	Millettia auriculata	Millettia auriculata	Medicinal Plant
BXGF02898	Toxicodendron radicans	Toxicodendron radicans	Others
BXGF02947	Fragaria chiloensis	Fragaria chiloensis	Medicinal Plant
BXGF03052	Eclipta prostrata	Eclipta prostrata	Medicinal Plant
BXGF03502	Pteris glauca	Pteris glauca	Others
BXGF04559	Rhizomnium pseudopunctatum	Rhizomnium pseudopunctatum	Others
BXGF05157	Garcinia morella	Garcinia morella	Medicinal Plant
BXGF05605	Aglaomorpha coronans	Aglaomorpha coronans	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}