acompound

Showing entry for Petunidin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002035
Compound Name	Petunidin
Structure
Formula	C16H13O7
InchiKey	AFOLOMGWVXKIQL-UHFFFAOYSA-O
SMILES	COC1=CC(=CC(O)=C1O)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1
Inchi	InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1
IUPAC	2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1?f?-chromen-1-ylium chloride
Molecular Weight	317.27
Pubchem Id	441774
Chembl Id	CHEMBL1275624

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

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
A4F1R4	BXGT001210	Glycosyltransferase	unreviewed	Ct3GT-A	-	-	-	-	-

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

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
P28907	BXGT009301	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	reviewed	Enzyme	CD38	IC50	'='	39200	nM
P28907	BXGT009301	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	reviewed	Enzyme	CD38	Ratio IC50	'='	3	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00400	French plantain	Musa X paradisiaca	Fruits
BXGF00806	Alcoholic beverages		Beverages
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits

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}