acompound

Showing entry for petasin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014173
Compound Name	petasin
Structure
Formula	C20H28O3
InchiKey	ISTBXSFGFOYLTM-NZEDGPFZSA-N
SMILES	C/C=C(\C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@@]2([C@H]1C)C)C(=C)C)/C
Inchi	InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1
IUPAC	[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
Molecular Weight	316.2
Pubchem Id	5281526
Chembl Id	CHEMBL3291073

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

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
P54645	BXGT011061	5'-AMP-activated protein kinase catalytic subunit alpha-1	reviewed	-	Prkaa1	Activity	-	-	-
Q9UGI9	BXGT021682	5'-AMP-activated protein kinase subunit gamma-3	reviewed	Enzyme modulator	PRKAG3	Activity	-	-	-
Q13131	BXGT013314	5'-AMP-activated protein kinase catalytic subunit alpha-1	reviewed	Kinase	PRKAA1	Activity	-	-	-
Q9Y478	BXGT022271	5'-AMP-activated protein kinase subunit beta-1	reviewed	Kinase	PRKAB1	Activity	-	-	-
Q9UGJ0	BXGT021683	5'-AMP-activated protein kinase subunit gamma-2	reviewed	Enzyme modulator	PRKAG2	Activity	-	-	-
P54619	BXGT011060	5'-AMP-activated protein kinase subunit gamma-1	reviewed	Kinase	PRKAG1	Activity	-	-	-
O43741	BXGT004620	5'-AMP-activated protein kinase subunit beta-2	reviewed	Enzyme modulator	PRKAB2	Activity	-	-	-
P54646	BXGT011062	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	Kinase	PRKAA2	Activity	-	-	-
Q5EG47	BXGT015344	5'-AMP-activated protein kinase catalytic subunit alpha-1	reviewed	-	Prkaa1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00289	Giant butterbur	Petasites japonicus	Vegetables
BXGF01218	Acacia armata	Acacia armata	Others
BXGF01289	Solanum pseudoquina	Solanum pseudoquina	Others
BXGF01674	Lonchocarpus laxiflorus	Lonchocarpus laxiflorus	Medicinal Plant
BXGF02392	Eragrostis curvula	Eragrostis curvula	Medicinal Plant
BXGF03613	Plantago lundborgii	Plantago lundborgii	Others
BXGF03964	Triadica sebifera	Triadica sebifera	Medicinal Plant
BXGF05344	Sideritis arborescens	Sideritis arborescens	Others
BXGF05409	Adonis sutchuenensis	Adonis sutchuenensis	Medicinal Plant
BXGF05445	Isophysis tasmanica	Isophysis tasmanica	Others
BXGF05650	Astragalus ernestii	Astragalus ernestii	Medicinal Plant
BXGF05709	Metasequoia glyptostroboides	Metasequoia glyptostroboides	Medicinal Plant
BXGF05906	Matricaria matricarioides	Matricaria matricarioides	Medicinal Plant
BXGF05968	Fritillaria meleagris	Fritillaria meleagris	Others
BXGF06000	Berneuxia thibetica	Berneuxia thibetica	Medicinal Plant
BXGF06022	Bongardia chrysogonum	Bongardia chrysogonum	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}