acompound

Showing entry for Pellitorin

General Compound Information
BXGC Id	BXGC0025684
Compound Name	Pellitorin
Structure
Formula	C14H25NO
InchiKey	MAGQQZHFHJDIRE-BNFZFUHLSA-N
SMILES	CCCCC/C=C/C=C/C(=NCC(C)C)O
Inchi	InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
IUPAC	(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
Molecular Weight	223.19
Pubchem Id	5318516
Chembl Id	CHEMBL271242

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

CHEMBL271242

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
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	11	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	IC50	'='	13	ug.mL-1
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	16	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	46	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	80	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00976	Verbesina virginica	Verbesina virginica	Others
BXGF01044	Bellardia viscosa	Bellardia viscosa	Others
BXGF01072	Dichotomanthes tristaniicarpa	Dichotomanthes tristaniicarpa	Others
BXGF01165	Cochlearia officinalis	Cochlearia officinalis	Medicinal Plant
BXGF01179	Forsythia japonica	Forsythia japonica	Others
BXGF01368	Frullania brasiliensis	Frullania brasiliensis	Medicinal Plant
BXGF01396	Bupleurum rigidum	Bupleurum rigidum	Medicinal Plant
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01531	Abies webbiana	Abies webbiana	Medicinal Plant
BXGF01773	Garcinia oligantha	Garcinia oligantha	Others
BXGF02144	Iris spuria	Iris spuria	Medicinal Plant
BXGF02194	Eucalyptus hybrid	Eucalyptus hybrid	Others
BXGF02364	Aconitum episcopale	Aconitum episcopale	Others
BXGF02461	Kopsia lapidilecta	Kopsia lapidilecta	Others
BXGF02492	Dryopteris arguta	Dryopteris arguta	Human Edible Plant
BXGF02771	Plenckia populnea	Plenckia populnea	Others
BXGF02806	Dryobalanops camphora	Dryobalanops camphora	Medicinal Plant
BXGF02826	Lophocolea bidentata	Lophocolea bidentata	Others
BXGF02832	Acanthosyris paulo-alvinii	Acanthosyris paulo-alvinii	Human Edible Plant
BXGF03190	Phytolacca thyrsiflora	Phytolacca thyrsiflora	Others
BXGF03285	Corydalis thalictrifolia	Corydalis thalictrifolia	Medicinal Plant
BXGF03351	Corymbia scabrida	Corymbia scabrida	Others
BXGF03424	Calliandra eriophylla	Calliandra eriophylla	Others
BXGF03507	Pinus aristata	Pinus aristata	Medicinal Plant
BXGF03575	Palisota barteri	Palisota barteri	Others
BXGF03737	Matsumurella chinensis	Matsumurella chinensis	Others
BXGF04193	Piper longum	Piper longum	Medicinal Plant
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04642	Podocarpus minor	Podocarpus minor	Others
BXGF04660	Piper sarmentosum	Piper sarmentosum	Medicinal Plant
BXGF04999	Castilleja sulphurea	Castilleja sulphurea	Others
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05181	Ardisia arborescens	Ardisia arborescens	Medicinal Plant
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05319	Lindera aggregata	Lindera aggregata	Others
BXGF05326	Aglaia perviridis	Aglaia perviridis	Human Edible Plant
BXGF05353	Piper kadsura	Piper kadsura	Others
BXGF05508	Oocystis polymorpha	Oocystis polymorpha	Others
BXGF05587	Phoebe grandis	Phoebe grandis	Others
BXGF05648	Euphorbia wangii	Euphorbia wangii	Others
BXGF05656	Gymnosporia trigyna	Gymnosporia trigyna	Others
BXGF05671	Carpesium longifolium	Carpesium longifolium	Medicinal Plant
BXGF05685	Rubus pileatus	Rubus pileatus	Others
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05741	Crocus corsicus	Crocus corsicus	Others
BXGF05792	Schefflera venulosa	Schefflera venulosa	Medicinal Plant
BXGF05844	Rubus trifidus	Rubus trifidus	Medicinal Plant
BXGF06190	Dioscorea sativa	Dioscorea sativa	Human Edible Plant
BXGF06230	Huperzia miyoshiana	Huperzia miyoshiana	Others
BXGF06252	Pseudobrickellia brasiliensis	Pseudobrickellia brasiliensis	Others
BXGF06264	Homalium laurifolium	Homalium laurifolium	Others
BXGF06298	Hippocrepis emerus	Hippocrepis emerus	Others
BXGF06309	Betula alnoides	Betula alnoides	Medicinal Plant
BXGF06310	Rhododendron latoucheae	Rhododendron latoucheae	Others
BXGF06316	Coelogyne nitida	Coelogyne nitida	Others

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}