acompound

General Compound Information
BXGC Id	BXGC0019517
Compound Name	RETROFRACTAMIDE C
Structure
Formula	C20H27NO3
InchiKey	PAXQNYHJDFKFEU-FIFLTTCUSA-N
SMILES	CC(CN=C(/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)O)C
Inchi	InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+
IUPAC	(2E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,8-dienamide
Molecular Weight	329.2
Pubchem Id	25255091
Chembl Id	CHEMBL271630

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
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	35	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	36	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Activity	-	-	-
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	29	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	IC50	'>'	50	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00976	Verbesina virginica	Verbesina virginica	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
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
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05648	Euphorbia wangii	Euphorbia wangii	Others
BXGF05671	Carpesium longifolium	Carpesium longifolium	Medicinal Plant
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
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}