acompound

Showing entry for Heraclenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001960
Compound Name	Heraclenol
Structure
Formula	C16H16O6
InchiKey	FOINLJRVEBYARJ-UHFFFAOYSA-N
SMILES	CC(C)(O)C(O)COC1=C2OC(=O)C=CC2=CC2=C1OC=C2
Inchi	InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3
IUPAC	9-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one
Molecular Weight	304.29
Pubchem Id	328236
Chembl Id	CHEMBL454062

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	>500000	-	-

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
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	72	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01470	Pleurospermum rivulorum	Pleurospermum rivulorum	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03890	Boenninghausenia albiflora	Boenninghausenia albiflora	Medicinal Plant
BXGF05075	Murraya koenigii	Murraya koenigii	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}