acompound

General Compound Information
BXGC Id	BXGC0024214
Compound Name	Aromoline
Structure
Formula	C37H40N2O6
InchiKey	HGNHIFJNOKGSKI-WDYNHAJCSA-N
SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C
Inchi	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
IUPAC
Molecular Weight	608.29
Pubchem Id	442333
Chembl Id	CHEMBL509999

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
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	15848	nM
P43351	BXGT010380	DNA repair protein RAD52 homolog	reviewed	Nucleic acid binding	RAD52	AC50	'='	9290	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	29092	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	14125	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	16360	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	79432	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23109	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00951	Chrysanthemum myconis	Chrysanthemum myconis	Others
BXGF00970	Acnistus arborescens	Acnistus arborescens	Human Edible Plant
BXGF01203	Berberis fortunei	Berberis fortunei	Medicinal Plant
BXGF01838	Dunaliella salina	Dunaliella salina	Human Edible Plant
BXGF01997	Garcinia paucinervis	Garcinia paucinervis	Human Edible Plant
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03280	Pilosocereus chrysacanthus	Pilosocereus chrysacanthus	Human Edible Plant
BXGF03381	Hylomecon japonica	Hylomecon japonica	Medicinal Plant
BXGF03538	Notholaena schaffneri	Notholaena schaffneri	Others
BXGF04038	Plectranthus ernstii	Plectranthus ernstii	Others
BXGF04508	Eupatorium glandulosum	Eupatorium glandulosum	Medicinal Plant
BXGF04568	Sideritis ferrensis	Sideritis ferrensis	Others
BXGF04599	Radula voluta	Radula voluta	Others
BXGF04707	Euphorbia broteri	Euphorbia broteri	Others
BXGF04714	Zamia spiralis	Zamia spiralis	Others
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05957	Artocarpus incisa	Artocarpus incisa	Medicinal Plant
BXGF05982	Ligularia nelumbifolia	Ligularia nelumbifolia	Medicinal Plant
BXGF06057	Berberis oblonga	Berberis oblonga	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}