acompound

Showing entry for Chalepin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031299
Compound Name	Chalepin
Structure
Formula	C19H22O4
InchiKey	JCDLLLXYAICSQV-MRXNPFEDSA-N
SMILES	C=CC(c1cc2cc3C[C@@H](Oc3cc2oc1=O)C(O)(C)C)(C)C
Inchi	InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m1/s1
IUPAC	(2R)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular Weight	314.15
Pubchem Id	17753871
Chembl Id	CHEMBL67815

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	BXGT008777	Glyceraldehyde-3-phosphate dehydrogenase, glycosomal	reviewed		-	-	64000	-	-

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01730	Aeollanthus buchnerianus	Aeollanthus buchnerianus	Others
BXGF01969	Echium plantagineum	Echium plantagineum	Medicinal Plant
BXGF02252	Leptospermum recurvum	Leptospermum recurvum	Others
BXGF02804	Hernandia sonora	Hernandia sonora	Medicinal Plant
BXGF02838	Helianthus niveus	Helianthus niveus	Medicinal Plant
BXGF03227	Cynoglossum viridiflorum	Cynoglossum viridiflorum	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}