acompound

Showing entry for Skimmianine

General Compound Information
BXGC Id	BXGC0042852
Compound Name	Skimmianine
Structure
Formula	C14H13NO4
InchiKey	SLSIBLKBHNKZTB-UHFFFAOYSA-N
SMILES	COc1ccc2c(c1OC)nc1c(c2OC)cco1
Inchi	InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
IUPAC	4,7,8-trimethoxyfuro[2,3-b]quinoline
Molecular Weight	259.08
Pubchem Id	6760
Chembl Id	CHEMBL21396

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

CHEMBL21396

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
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	14125	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	6	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	39	%
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	7943	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	100000	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	3162	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	56234	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	79	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	12589	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	10000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	7943	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	39810	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	39810	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	12589	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P16390	BXGT008222	Potassium voltage-gated channel subfamily A member 3	reviewed	-	Kcna3	BK	'='	13	%
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	25118	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	91	%
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	31622	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	28183	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	5011	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	18348	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	2818	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	14125	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	7943	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	19952	nM
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	10000	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	10000	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	23934	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	8	ug.mL-1
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	25118	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	11885	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	920	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00025	Common beet	Beta vulgaris	Vegetables
BXGF00557	Black salsify	Scorzonera hispanica	Vegetables
BXGF00729	Shea tree	Vitellaria paradoxa	Herbs and Spices
BXGF00875	Glycosmis pseudoracemosa	Glycosmis pseudoracemosa	Medicinal Plant
BXGF00904	Platonia insignis	Platonia insignis	Medicinal Plant
BXGF00929	Ficus conraui	Ficus conraui	Human Edible Plant
BXGF00982	Matricaria suffruticosa	Matricaria suffruticosa	Medicinal Plant
BXGF01005	Dictamnus dasycarpus	Dictamnus dasycarpus	Medicinal Plant
BXGF01063	Corydalis persica	Corydalis persica	Others
BXGF01067	Salta triflora	Salta triflora	Others
BXGF01119	Trapa japonica	Trapa japonica	Medicinal Plant
BXGF01136	Inula grantioides	Inula grantioides	Medicinal Plant
BXGF01152	Vernonia chloropappa	Vernonia chloropappa	Others
BXGF01339	Diospyros peregrina	Diospyros peregrina	Medicinal Plant
BXGF01363	Diospyros elliptifolia	Diospyros elliptifolia	Others
BXGF01395	Juniperus horizontalis	Juniperus horizontalis	Medicinal Plant
BXGF01445	Acronychia laurifolia	Acronychia laurifolia	Medicinal Plant
BXGF01525	Diospyros abyssinica	Diospyros abyssinica	Medicinal Plant
BXGF01572	Cratystylis conocephala	Cratystylis conocephala	Others
BXGF01577	Strychnos spinosa	Strychnos spinosa	Medicinal Plant
BXGF01579	Esenbeckia hartmanii	Esenbeckia hartmanii	Others
BXGF01587	Talipariti tiliaceum	Talipariti tiliaceum	Medicinal Plant
BXGF01619	Centaurea calcitrapa	Centaurea calcitrapa	Medicinal Plant
BXGF01645	Beaucarnea recurvata	Beaucarnea recurvata	Others
BXGF01664	Peperomia pellucida	Peperomia pellucida	Medicinal Plant
BXGF01714	Amomum daniellii	Amomum daniellii	Others
BXGF01730	Aeollanthus buchnerianus	Aeollanthus buchnerianus	Others
BXGF01782	Hesperocyparis goveniana var. abramsiana	Hesperocyparis goveniana var. abramsiana	Others
BXGF01852	Plectranthus caninus	Plectranthus caninus	Medicinal Plant
BXGF01881	Wedelia prostrata	Wedelia prostrata	Others
BXGF01903	Erica glauca	Erica glauca	Others
BXGF01935	Lathyrus tingitanus	Lathyrus tingitanus	Human Edible Plant
BXGF01969	Echium plantagineum	Echium plantagineum	Medicinal Plant
BXGF01970	Rauvolfia salicifolia	Rauvolfia salicifolia	Others
BXGF01990	Balanophora japonica	Balanophora japonica	Medicinal Plant
BXGF02055	Aconitum volubile	Aconitum volubile	Medicinal Plant
BXGF02068	Leucas neufliseana	Leucas neufliseana	Others
BXGF02070	Espeletiopsis purpurascens	Espeletiopsis purpurascens	Others
BXGF02252	Leptospermum recurvum	Leptospermum recurvum	Others
BXGF02350	Cota tinctoria	Cota tinctoria	Medicinal Plant
BXGF02388	Ipomoea nil	Ipomoea nil	Medicinal Plant
BXGF02424	Pycnarrhena australiana	Pycnarrhena australiana	Others
BXGF02480	Amomum reticulatum	Amomum reticulatum	Others
BXGF02577	Zanthoxylum planispinum	Zanthoxylum planispinum	Medicinal Plant
BXGF02746	Zanthoxylum avicennae	Zanthoxylum avicennae	Medicinal Plant
BXGF02804	Hernandia sonora	Hernandia sonora	Medicinal Plant
BXGF02838	Helianthus niveus	Helianthus niveus	Medicinal Plant
BXGF02933	Hosta sieboldiana	Hosta sieboldiana	Medicinal Plant
BXGF02969	Plectranthus hereroensis	Plectranthus hereroensis	Others
BXGF03029	Udotea petiolata	Udotea petiolata	Others
BXGF03038	Oricia suaveolens	Oricia suaveolens	Others
BXGF03043	Melicope semecarpifolia	Melicope semecarpifolia	Medicinal Plant
BXGF03227	Cynoglossum viridiflorum	Cynoglossum viridiflorum	Others
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03367	Tecoma pentaphylla	Tecoma pentaphylla	Others
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03433	Inula salsoloides	Inula salsoloides	Others
BXGF03557	Eutrochium purpureum	Eutrochium purpureum	Medicinal Plant
BXGF03625	Alchornea cordifolia	Alchornea cordifolia	Medicinal Plant
BXGF03639	Caralluma russeliana	Caralluma russeliana	Others
BXGF03657	Dalbergia monetaria	Dalbergia monetaria	Medicinal Plant
BXGF03674	Zanthoxylum ailanthoides	Zanthoxylum ailanthoides	Medicinal Plant
BXGF03676	Ursinia anthemoides	Ursinia anthemoides	Others
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03706	Tetradium glabrifolium	Tetradium glabrifolium	Others
BXGF03713	Trollius macropetalus	Trollius macropetalus	Others
BXGF03716	Polypodium aureum	Polypodium aureum	Others
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF03756	Casimiroa edulis	Casimiroa edulis	Medicinal Plant
BXGF03757	Tylophora asthmatica	Tylophora asthmatica	Medicinal Plant
BXGF03792	Helianthus californicus	Helianthus californicus	Others
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF03829	Morinda coreia	Morinda coreia	Medicinal Plant
BXGF03914	Jacobaea cannabifolia	Jacobaea cannabifolia	Others
BXGF03931	Skimmia japonica	Skimmia japonica	Medicinal Plant
BXGF03960	Conium maculatum	Conium maculatum	Medicinal Plant
BXGF03979	Aglaia pyramidata	Aglaia pyramidata	Others
BXGF03992	Schrebera swietenoides	Schrebera swietenoides	Human Edible Plant
BXGF04008	Senecio gilliesi	Senecio gilliesi	Others
BXGF04018	Derris malaccensis	Derris malaccensis	Medicinal Plant
BXGF04020	Celastrus monospermus	Celastrus monospermus	Others
BXGF04078	Solanum spirale	Solanum spirale	Medicinal Plant
BXGF04101	Agave deserti	Agave deserti	Human Edible Plant
BXGF04111	Asclepias subulata	Asclepias subulata	Medicinal Plant
BXGF04198	Strychnos potatorum	Strychnos potatorum	Medicinal Plant
BXGF04201	Zanthoxylum simulans	Zanthoxylum simulans	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04262	Daphne tangutica	Daphne tangutica	Others
BXGF04333	Jacobaea vulgaris	Jacobaea vulgaris	Others
BXGF04354	Sophora leachiana	Sophora leachiana	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF04689	Sarcomelicope glauca	Sarcomelicope glauca	Others
BXGF04702	Vernonia lilacina	Vernonia lilacina	Others
BXGF04760	Wikstroemia chamaedaphne	Wikstroemia chamaedaphne	Medicinal Plant
BXGF04882	Vepris punctata	Vepris punctata	Others
BXGF04929	Passiflora morifolia	Passiflora morifolia	Human Edible Plant
BXGF05082	Orixa japonica	Orixa japonica	Medicinal Plant
BXGF05111	Trifolium montanum	Trifolium montanum	Others
BXGF05130	Limonium bicolor	Limonium bicolor	Others
BXGF05165	Ruta graveolens	Ruta graveolens	Medicinal Plant
BXGF05186	Hortonia floribunda	Hortonia floribunda	Others
BXGF05188	Corynanthe pachyceras	Corynanthe pachyceras	Others
BXGF05220	Ulmus americana	Ulmus americana	Medicinal Plant
BXGF05260	Peucedanum praeruptorum	Peucedanum praeruptorum	Medicinal Plant
BXGF05290	Reaumuria hirtella	Reaumuria hirtella	Others
BXGF05331	Centaurea arenaria	Centaurea arenaria	Others
BXGF05361	Coleus esquirolii	Coleus esquirolii	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05455	Peucedanum oroselinum	Peucedanum oroselinum	Others
BXGF05463	Ageratina saltillensis	Ageratina saltillensis	Others
BXGF05471	Cynoglossum amabile	Cynoglossum amabile	Medicinal Plant
BXGF05545	Litsea glutinosa	Litsea glutinosa	Medicinal Plant
BXGF05598	Vicia balansae	Vicia balansae	Others
BXGF05620	Echinosophora koreensis	Echinosophora koreensis	Others
BXGF05638	Gutenbergia cordifolia	Gutenbergia cordifolia	Medicinal Plant
BXGF05660	Glycosmis cochinchinensis	Glycosmis cochinchinensis	Human Edible Plant
BXGF05673	Garcinia intermedia	Garcinia intermedia	Human Edible Plant
BXGF05723	Bellium bellidioides	Bellium bellidioides	Others
BXGF05745	Elegia deusta	Elegia deusta	Others
BXGF05746	Atalantia wightii	Atalantia wightii	Others
BXGF05770	Sida veronicaefolia	Sida veronicaefolia	Medicinal Plant
BXGF05797	Salvia polystachya	Salvia polystachya	Medicinal Plant
BXGF05805	Toddalia asiatica	Toddalia asiatica	Medicinal Plant
BXGF05827	Spiraea prunifolia	Spiraea prunifolia	Medicinal Plant
BXGF05881	Salvia munzii	Salvia munzii	Others
BXGF05901	Kielmeyera coriacea	Kielmeyera coriacea	Medicinal Plant
BXGF05914	Solanum transcaucasicum	Solanum transcaucasicum	Others
BXGF05916	Senecio densiflorus	Senecio densiflorus	Others
BXGF05939	Grewia villosa	Grewia villosa	Medicinal Plant
BXGF05951	Consolida hohenackeri	Consolida hohenackeri	Others
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	Medicinal Plant
BXGF06068	Lithospermum officinale	Lithospermum officinale	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06136	Euonymus europaeus	Euonymus europaeus	Medicinal Plant
BXGF06143	Persicaria tinctoria	Persicaria tinctoria	Medicinal Plant
BXGF06146	Sarcococca vagans	Sarcococca vagans	Medicinal Plant
BXGF06179	Trachelospermum lucidum	Trachelospermum lucidum	Medicinal Plant
BXGF06247	Phyllodium pulchellum	Phyllodium pulchellum	Medicinal Plant
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	Medicinal Plant
BXGF06286	Mikania scandens	Mikania scandens	Medicinal Plant
BXGF06326	Cotylelobium scabriusculum	Cotylelobium scabriusculum	Others
BXGF06327	Cynara humilis	Cynara humilis	Human Edible 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}