acompound

Showing entry for Umbelliprenin

General Compound Information
BXGC Id	BXGC0031233
Compound Name	Umbelliprenin
Structure
Formula	C24H30O3
InchiKey	GNMUGVNEWCZUAA-WOWYBKFKSA-N
SMILES	C/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CC/C=C(/CCC=C(C)C)\C
Inchi	InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
IUPAC	7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
Molecular Weight	366.22
Pubchem Id	1781413
Chembl Id	CHEMBL156127

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

50143435

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
reviewed	BXGT009706	Squalene--hopene cyclase	reviewed		shc	-	70000	-	-
reviewed	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	-	16700	-	-

CHEMBL

CHEMBL156127

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
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	79432	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
P33247	BXGT009706	Squalene--hopene cyclase	reviewed	-	shc	IC50	'='	70000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	18356	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	112201	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	112201	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	79432	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	44668	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	63095	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	IC50	'='	16700	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	50118	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	31622	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	461	nM
P48039	BXGT010607	Melatonin receptor type 1A	reviewed	G-protein coupled receptor	MTNR1A	KiL	'='	3	nM
O08537	BXGT004028	Estrogen receptor beta	reviewed	-	Esr2	Activity	-	-	-
P48039	BXGT010607	Melatonin receptor type 1A	reviewed	G-protein coupled receptor	MTNR1A	KiH	'='	1	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF01540	Rhodomyrtus tomentosa	Rhodomyrtus tomentosa	Medicinal Plant
BXGF02631	Solanum torvum	Solanum torvum	Medicinal Plant
BXGF02967	Palicourea alpina	Palicourea alpina	Others
BXGF02982	Lupinus formosus	Lupinus formosus	Others
BXGF02995	Wunderlichia mirabilis	Wunderlichia mirabilis	Others
BXGF03010	Posoqueria latifolia	Posoqueria latifolia	Human Edible Plant
BXGF03026	Dicliptera riparia	Dicliptera riparia	Medicinal Plant
BXGF03036	Oxandra xylopioides	Oxandra xylopioides	Others
BXGF03091	Ilex kaushue	Ilex kaushue	Human Edible Plant
BXGF03116	Dalbergia frutescens	Dalbergia frutescens	Others
BXGF03128	Colchicum macedonicum	Colchicum macedonicum	Others
BXGF03137	Euphorbia caducifolia	Euphorbia caducifolia	Medicinal Plant
BXGF03145	Boronia muelleri	Boronia muelleri	Others
BXGF03169	Coprosma acerosa	Coprosma acerosa	Medicinal Plant
BXGF03183	Astilbe koreana	Astilbe koreana	Others
BXGF03211	Scrophularia smithii	Scrophularia smithii	Others
BXGF03302	Hypericum papuanum	Hypericum papuanum	Medicinal Plant
BXGF03329	Zilla spinosa	Zilla spinosa	Medicinal Plant
BXGF03380	Kaunia arbuscularis	Kaunia arbuscularis	Others
BXGF03397	Trifolium pratense	Trifolium pratense	Medicinal Plant
BXGF03425	Sambucus ebulus	Sambucus ebulus	Medicinal Plant
BXGF03441	Inula thapsoides	Inula thapsoides	Others
BXGF03453	Tylophora flava	Tylophora flava	Others
BXGF03474	Limeum pterocarpum	Limeum pterocarpum	Others
BXGF03489	Trifolium alexandrium	Trifolium alexandrium	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF03517	Cassia carnaval	Cassia carnaval	Others
BXGF03537	Salix sieboldiana	Salix sieboldiana	Others
BXGF03868	Dillenia papuana	Dillenia papuana	Others
BXGF04855	Cranfillia vulcanica	Cranfillia vulcanica	Others
BXGF05336	Tanacetum santolinoides	Tanacetum santolinoides	Human Edible Plant
BXGF05338	Persicaria thunbergii	Persicaria thunbergii	Medicinal Plant
BXGF05738	Salvia xalapensis	Salvia xalapensis	Others
BXGF06053	Ficus elastica	Ficus elastica	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}