acompound

Showing entry for Psoralen

General Compound Information
BXGC Id	BXGC0006213
Compound Name	Psoralen
Structure
Formula	C11H6O3
InchiKey	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
SMILES	O=C1OC2=CC3=C(C=CO3)C=C2C=C1
Inchi	InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
IUPAC	7H-furo[3,2-g]chromen-7-one
Molecular Weight	186.17
Pubchem Id	6199
Chembl Id	CHEMBL164660

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

50331544

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	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	>1.50e+5	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	>500000	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	600	-	-	-
reviewed	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	-	3000	-	-

CHEMBL

CHEMBL164660

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
P20813	BXGT008603	Cytochrome P450 2B6	reviewed	-	CYP2B6	Partition ratio	'='	46	-
P20813	BXGT008603	Cytochrome P450 2B6	reviewed	-	CYP2B6	Partition ratio	'='	71	-
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	31622	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	3981	nM
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Activity	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	31622	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	7943	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	1995	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	12589	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	19	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	-	-	-
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	2818	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC50	'='	3000	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'='	21300	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	251188	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Kinact	'='	0	min-1
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	6480	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	600	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	69	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00081	Fig	Ficus carica	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00211	Celery stalks	Apium graveolens var. dulce	Vegetables
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00824	Green vegetables		Vegetables
BXGF00825	Root vegetables		Vegetables
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01151	Ligusticum jeholense	Ligusticum jeholense	Medicinal Plant
BXGF01360	Aphelandra chamissoniana	Aphelandra chamissoniana	Others
BXGF01442	Torilis japonica	Torilis japonica	Medicinal Plant
BXGF01465	Heracleum maximum	Heracleum maximum	Medicinal Plant
BXGF01580	Changium smyrnioides	Changium smyrnioides	Medicinal Plant
BXGF01598	Bryopsis pennata	Bryopsis pennata	Others
BXGF01622	Pseudotsuga japonica	Pseudotsuga japonica	Others
BXGF01972	Ficus simplicissima	Ficus simplicissima	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02065	Cnidium monnieri	Cnidium monnieri	Medicinal Plant
BXGF02231	Macrococculus pomiferus	Macrococculus pomiferus	Others
BXGF02296	Zanthoxylum spinosum	Zanthoxylum spinosum	Others
BXGF02308	Peucedanum japonicum	Peucedanum japonicum	Medicinal Plant
BXGF02333	Saposhnikovia divaricata	Saposhnikovia divaricata	Medicinal Plant
BXGF02448	Strychnos henningsii	Strychnos henningsii	Medicinal Plant
BXGF02477	Aconitum tanguticum	Aconitum tanguticum	Medicinal Plant
BXGF02641	Acanthophyllum sordidum	Acanthophyllum sordidum	Others
BXGF02697	Vernonia scorpioides	Vernonia scorpioides	Others
BXGF02747	Polyalthia stenopetala	Polyalthia stenopetala	Others
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF02879	Roemeria refracta	Roemeria refracta	Others
BXGF02913	Bougainvillea glabra	Bougainvillea glabra	Medicinal Plant
BXGF02914	Michelia alba	Michelia alba	Medicinal Plant
BXGF03290	Ligusticum tenuissimum	Ligusticum tenuissimum	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF04159	Panax spinosus	Panax spinosus	Others
BXGF04376	Aconitum habaense	Aconitum habaense	Others
BXGF04379	Daiswa dunniana	Daiswa dunniana	Others
BXGF04734	Cullen corylifolium	Cullen corylifolium	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04940	Strophanthus hispidus	Strophanthus hispidus	Medicinal Plant
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05165	Ruta graveolens	Ruta graveolens	Medicinal Plant
BXGF05260	Peucedanum praeruptorum	Peucedanum praeruptorum	Medicinal Plant
BXGF05426	Salvia oxyodon	Salvia oxyodon	Others
BXGF05687	Angelica officinalis	Angelica officinalis	Medicinal Plant
BXGF05760	Echium italicum	Echium italicum	Medicinal Plant
BXGF05898	Agathis macrophylla	Agathis macrophylla	Human Edible Plant
BXGF06107	Glehnia littoralis	Glehnia littoralis	Medicinal Plant
BXGF06128	Cnidium monieri	Cnidium monieri	Others
BXGF06208	Rosa transmorrisonensis	Rosa transmorrisonensis	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}