acompound

General Compound Information
BXGC Id	BXGC0005851
Compound Name	Angelicin
Structure
Formula	C11H6O3
InchiKey	XDROKJSWHURZGO-UHFFFAOYSA-N
SMILES	[H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H]
Inchi	InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
IUPAC	2H-furo[2,3-h]chromen-2-one
Molecular Weight	186.17
Pubchem Id	10658
Chembl Id	CHEMBL53569

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

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	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	-	2500	-	-

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	9	%
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC50	'='	2500	nM
P05091	BXGT006312	Aldehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH2	Activity	'='	95	%
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Activity	-	-	-
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Activity	'='	61	%
P30838	BXGT009471	Aldehyde dehydrogenase, dimeric NADP-preferring	reviewed	-	ALDH3A1	Activity	'='	28	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	80	%

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
BXGF00081	Fig	Ficus carica	Fruits
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00824	Green vegetables		Vegetables
BXGF00825	Root vegetables		Vegetables
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02638	Kopsia albiflora	Kopsia albiflora	Others
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03930	Heracleum yungningense	Heracleum yungningense	Medicinal Plant
BXGF04420	Ribes sanguineum	Ribes sanguineum	Medicinal Plant
BXGF04734	Cullen corylifolium	Cullen corylifolium	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05477	Stachys chinensis	Stachys chinensis	Human Edible Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible Plant
BXGF06092	Schizonepeta tenuifolia	Schizonepeta tenuifolia	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}