acompound

Showing entry for Guineensine

General Compound Information
BXGC Id	BXGC0003730
Compound Name	Guineensine
Structure
Formula	C24H33NO3
InchiKey	FPMPOFBEYSSYDQ-AUVZEZIHSA-N
SMILES	CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\C1=CC=C2OCOC2=C1
Inchi	InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
IUPAC	(2E,4E,12E)-13-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide
Molecular Weight	383.52
Pubchem Id	6442405
Chembl Id	CHEMBL404184

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

CHEMBL404184

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	'='	14	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	31	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	IC50	'>'	50	ug.mL-1
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Activity	-	-	-
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	25118	nM
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	36	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	410	nM

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
BXGF01368	Frullania brasiliensis	Frullania brasiliensis	Medicinal Plant
BXGF01396	Bupleurum rigidum	Bupleurum rigidum	Medicinal Plant
BXGF01531	Abies webbiana	Abies webbiana	Medicinal Plant
BXGF02461	Kopsia lapidilecta	Kopsia lapidilecta	Others
BXGF02492	Dryopteris arguta	Dryopteris arguta	Human Edible Plant
BXGF02771	Plenckia populnea	Plenckia populnea	Others
BXGF02832	Acanthosyris paulo-alvinii	Acanthosyris paulo-alvinii	Human Edible Plant
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
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05326	Aglaia perviridis	Aglaia perviridis	Human Edible Plant
BXGF05508	Oocystis polymorpha	Oocystis polymorpha	Others
BXGF05587	Phoebe grandis	Phoebe grandis	Others
BXGF05648	Euphorbia wangii	Euphorbia wangii	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
BXGF06264	Homalium laurifolium	Homalium laurifolium	Others
BXGF06298	Hippocrepis emerus	Hippocrepis emerus	Others
BXGF06309	Betula alnoides	Betula alnoides	Medicinal Plant
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}