acompound

Showing entry for beta-Ionone

General Compound Information
BXGC Id	BXGC0008119
Compound Name	beta-Ionone
Structure
Formula	C13H20O
InchiKey	PSQYTAPXSHCGMF-BQYQJAHWSA-N
SMILES	CC(=O)\C=C\C1=C(C)CCCC1(C)C
Inchi	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
IUPAC	(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Molecular Weight	192.3
Pubchem Id	638014
Chembl Id	CHEMBL559945

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

ID3

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
P02699	BXGT005925	Rhodopsin	reviewed	RHO	-	-	-	-	-
Q2G637	BXGT014060	Cytochrome P450	unreviewed	Saro_2249	-	-	-	-	-

Binding DB

181139

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	>10000	-	-

CHEMBL

CHEMBL559945

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'>'	10000	nM
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	FC	'='	0	-
Q8NHB7	BXGT018568	Olfactory receptor 5K1	reviewed	-	OR5K1	Inhibition	'>='	75	%
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	FC	'='	1	-
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	FC	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00023	Star fruit	Averrhoa carambola	Fruits
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00052	Watermelon	Citrullus lanatus	Gourds
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00064	Muskmelon	Cucumis melo	Gourds
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00081	Fig	Ficus carica	Fruits
BXGF00089	Hyssop	Hyssopus officinalis	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00124	Common oregano	Origanum vulgare	Herbs and Spices
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00180	Tamarind	Tamarindus indica	Fruits
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00508	Wakame	Undaria pinnatifida	Aquatic foods
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
BXGF00942	Odontites rubra	Odontites rubra	Others
BXGF01125	Schistostephium rotundifolium	Schistostephium rotundifolium	Others
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01206	Prosopis ruscifolia	Prosopis ruscifolia	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01274	Garcinia macrophylla	Garcinia macrophylla	Medicinal Plant
BXGF01381	Siphocampylus verticillatus	Siphocampylus verticillatus	Others
BXGF01410	Viburnum chingii	Viburnum chingii	Others
BXGF01576	Maytenus loeseneri	Maytenus loeseneri	Others
BXGF01689	Aconitum kamtschaticum	Aconitum kamtschaticum	Others
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01766	Maytenus serrata	Maytenus serrata	Medicinal Plant
BXGF01870	Dipteronia dyeriana	Dipteronia dyeriana	Others
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF01976	Podocarpus salignus	Podocarpus salignus	Medicinal Plant
BXGF01981	Psychotria bahiensis	Psychotria bahiensis	Others
BXGF02069	Plectranthus mollis	Plectranthus mollis	Medicinal Plant
BXGF02142	Dodonaea polyandra	Dodonaea polyandra	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02192	Actinidia kolomikta	Actinidia kolomikta	Medicinal Plant
BXGF02236	Murraya kwangsiensis	Murraya kwangsiensis	Medicinal Plant
BXGF02281	Veratrum stenophyllum	Veratrum stenophyllum	Others
BXGF02299	Phalaenopsis aphrodite	Phalaenopsis aphrodite	Others
BXGF02422	Sideritis syriaca	Sideritis syriaca	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02481	Prunella vulgaris	Prunella vulgaris	Medicinal Plant
BXGF02542	Inula helenium	Inula helenium	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03384	Vepris pilosa	Vepris pilosa	Others
BXGF03414	Centranthus longiflorus ssp. longiflorus	Centranthus longiflorus ssp. longiflorus	Others
BXGF03610	Bistorta officinalis	Bistorta officinalis	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04151	Ophiorrhiza blumeana	Ophiorrhiza blumeana	Others
BXGF04197	Zanthoxylum chiriquinum	Zanthoxylum chiriquinum	Others
BXGF04224	Bistorta manshuriensis	Bistorta manshuriensis	Others
BXGF04238	Capsella bursa-pastoris	Capsella bursa-pastoris	Medicinal Plant
BXGF04571	Jacaranda caucana	Jacaranda caucana	Others
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF05135	Ongokea klaineana	Ongokea klaineana	Others
BXGF05140	Amomum neoaurantiacum	Amomum neoaurantiacum	Others
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05474	Gymnanthemum amygdalinum	Gymnanthemum amygdalinum	Medicinal Plant
BXGF05613	Chamaecyparis pisifera	Chamaecyparis pisifera	Medicinal Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible Plant
BXGF05661	Aconitum vilmorinianum	Aconitum vilmorinianum	Others
BXGF05758	Boronella koniambiensis	Boronella koniambiensis	Others
BXGF05779	Canarium strictum	Canarium strictum	Medicinal Plant
BXGF05810	Pterocarpus indicus	Pterocarpus indicus	Medicinal Plant
BXGF05891	Peucedanum palustre	Peucedanum palustre	Medicinal Plant
BXGF05905	Coreopsis grandiflora	Coreopsis grandiflora	Garden Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06072	Physalis solanaceus	Physalis solanaceus	Others
BXGF06120	Craibiodendron yunnanese	Craibiodendron yunnanese	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}