acompound

Showing entry for Caryophyllene oxide

General Compound Information
BXGC Id	BXGC0050337
Compound Name	Caryophyllene oxide
Structure
Formula	C15H24O
InchiKey	NVEQFIOZRFFVFW-SFDCQRBFSA-N
SMILES	C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)C)C
Inchi	InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
IUPAC
Molecular Weight	220.18
Pubchem Id	6604672
Chembl Id	CHEMBL1513806

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

CHEMBL1513806

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
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	12589	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	25118	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00090	Star anise	Illicium verum	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00920	Vincetoxicum stauntonii	Vincetoxicum stauntonii	Others
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF01325	Murraya exotica	Murraya exotica	Medicinal Plant
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01424	Atractylodes chinensis	Atractylodes chinensis	Medicinal Plant
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02542	Inula helenium	Inula helenium	Medicinal Plant
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF02756	Schizonepeta tenuisfolia	Schizonepeta tenuisfolia	Others
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03527	Alpinia oxyphylla	Alpinia oxyphylla	Medicinal Plant
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF03545	Cyperus rotundus	Cyperus rotundus	Medicinal Plant
BXGF03671	Leonurus japonicus	Leonurus japonicus	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04070	Acorus calamus	Acorus calamus	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF04217	Agastache rugosa	Agastache rugosa	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF04445	Cynanchum stauntoni	Cynanchum stauntoni	Others
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04732	Laggera pterodonta	Laggera pterodonta	Medicinal Plant
BXGF04787	Valeriana jatamansi	Valeriana jatamansi	Medicinal Plant
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05279	Vincetoxicum glaucescens	Vincetoxicum glaucescens	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05934	Curcuma zedoaria	Curcuma zedoaria	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06092	Schizonepeta tenuifolia	Schizonepeta tenuifolia	Medicinal Plant
BXGF06107	Glehnia littoralis	Glehnia littoralis	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}