acompound

Showing entry for Paeonol

General Compound Information
BXGC Id	BXGC0024275
Compound Name	Paeonol
Structure
Formula	C9H10O3
InchiKey	UILPJVPSNHJFIK-UHFFFAOYSA-N
SMILES	COc1ccc(c(c1)O)C(=O)C
Inchi	InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
IUPAC	1-(2-hydroxy-4-methoxyphenyl)ethanone
Molecular Weight	166.06
Pubchem Id	11092
Chembl Id	CHEMBL1079227

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

50310718

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	BXGT008717	Voltage-dependent L-type calcium channel subunit alpha-1C	reviewed		Cacna1c	-	561000	-	-
reviewed	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	>50000	-	-

CHEMBL

CHEMBL1079227

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
P22002	BXGT008717	Voltage-dependent L-type calcium channel subunit alpha-1C	reviewed	-	Cacna1c	IC50	'='	561000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	4	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	6309	nM
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'>'	50000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	1258	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	121	%
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	17782	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	108	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	121400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00875	Glycosmis pseudoracemosa	Glycosmis pseudoracemosa	Medicinal Plant
BXGF00920	Vincetoxicum stauntonii	Vincetoxicum stauntonii	Others
BXGF01063	Corydalis persica	Corydalis persica	Others
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01136	Inula grantioides	Inula grantioides	Medicinal Plant
BXGF01158	Primula viscosa	Primula viscosa	Others
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01259	Illicium difengpi	Illicium difengpi	Medicinal Plant
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01395	Juniperus horizontalis	Juniperus horizontalis	Medicinal Plant
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01577	Strychnos spinosa	Strychnos spinosa	Medicinal Plant
BXGF01714	Amomum daniellii	Amomum daniellii	Others
BXGF01852	Plectranthus caninus	Plectranthus caninus	Medicinal Plant
BXGF01935	Lathyrus tingitanus	Lathyrus tingitanus	Human Edible Plant
BXGF01970	Rauvolfia salicifolia	Rauvolfia salicifolia	Others
BXGF01990	Balanophora japonica	Balanophora japonica	Medicinal Plant
BXGF01998	Paeonia rockii	Paeonia rockii	Others
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02350	Cota tinctoria	Cota tinctoria	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03488	Paeonia suffruticosa	Paeonia suffruticosa	Medicinal Plant
BXGF03625	Alchornea cordifolia	Alchornea cordifolia	Medicinal Plant
BXGF03706	Tetradium glabrifolium	Tetradium glabrifolium	Others
BXGF03876	Vincetoxicum pycnostelma	Vincetoxicum pycnostelma	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04445	Cynanchum stauntoni	Cynanchum stauntoni	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05188	Corynanthe pachyceras	Corynanthe pachyceras	Others
BXGF05225	Betula platyphylla	Betula platyphylla	Medicinal Plant
BXGF05279	Vincetoxicum glaucescens	Vincetoxicum glaucescens	Others
BXGF05455	Peucedanum oroselinum	Peucedanum oroselinum	Others
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05471	Cynoglossum amabile	Cynoglossum amabile	Medicinal Plant
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF05746	Atalantia wightii	Atalantia wightii	Others
BXGF05853	Cannabis sativa	Cannabis sativa	Medicinal Plant
BXGF06026	Magnolia officinalis rehd et wils	Magnolia officinalis rehd et wils	Others
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	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}