Myrcene

Details

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Internal ID 956f4ea4-929a-4ccf-93b8-085d9f6fdd94
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name 7-methyl-3-methylideneocta-1,6-diene
SMILES (Canonical) CC(=CCCC(=C)C=C)C
SMILES (Isomeric) CC(=CCCC(=C)C=C)C
InChI InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChI Key UAHWPYUMFXYFJY-UHFFFAOYSA-N
Popularity 5,620 references in papers

Physical and Chemical Properties

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Molecular Formula C10H16
Molecular Weight 136.23 g/mol
Exact Mass 136.125200510 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.30

Synonyms

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123-35-3
beta-Myrcene
7-Methyl-3-methyleneocta-1,6-diene
7-Methyl-3-methylene-1,6-octadiene
1,6-Octadiene, 7-methyl-3-methylene-
7-methyl-3-methylideneocta-1,6-diene
.beta.-Myrcene
beta-geraniolene
Myrcene (natural)
FEMA No. 2762
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Myrcene

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL1963 P16473 Thyroid stimulating hormone receptor 39810.7 nM
39810.7 nM
Potency
Potency
via CMAUP
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 90.79% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.65% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.06% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.67% 94.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Abies balsamea
Abies nordmanniana
Abies sachalinensis
Abies sibirica subsp. semenovii
Abrus melanospermus subsp. melanospermus
Achillea abrotanoides
Achillea clavennae
Achillea clypeolata
Achillea millefolium
Aconitum episcopale
Acorus calamus
Actaea podocarpa
Actinodium cunninghamii
Adina trichotoma
Aegle marmelos
Afraegle paniculata
Aframomum angustifolium
Aframomum melegueta
Agastache foeniculum
Agathosma betulina
Agathosma puberula
Agathosma venusta
Ageratum conyzoides
Aizoon africanum
Ajuga chamaepitys
Ajuga reptans
Akebia quinata
Akebia trifoliata
Alangium premnifolium
Alcea rosea
Alkanna cappadocica
Allium victorialis
Aloysia citrodora
Alpinia breviligulata
Alpinia chinensis
Alpinia conchigera
Alpinia galanga
Alpinia latilabris
Alpinia roxburghii
Alpinia zerumbet
Anethum graveolens
Angelica acutiloba
Angelica archangelica
Angelica dahurica
Angelica gigas
Angelica pubescens
Angelica sinensis
Angelica tarokoensis
Annona cascarilloides
Annona glabra
Annona reticulata
Annona squamosa
Anthemis aciphylla
Apium graveolens
Arabidopsis thaliana
Araucaria cunninghamii
Ardisia humilis
Aristolochia debilis
Artemisia absinthium
Artemisia annua
Artemisia arborescens
Artemisia argyi
Artemisia campestris subsp. campestris
Artemisia capillaris
Artemisia carvifolia
Artemisia dracunculus
Artemisia halophila
Artemisia montana
Artemisia princeps
Artemisia rupestris
Artemisia rupestris subsp. rupestris
Artemisia salsoloides
Artemisia scoparia
Artemisia scoparia
Artemisia thuscula
Artemisia tridentata
Artemisia vulgaris
Arum maculatum
Asarum canadense
Asarum fauriei var. takaoi
Asarum heterotropoides
Asarum lutchuense
Asarum sieboldii
Aspalathus linearis
Asterolasia squamuligera
Astragalus glycyphyllos
Atalantia buxifolia
Atalantia racemosa
Athamanta macedonica
Athanasia crithmifolia
Athrixia elata
Aucklandia costus
Austrobaileya scandens
Avena sativa
Baccharis dracunculifolia
Baccharis tucumanensis
Backhousia citriodora
Balanops australiana
Bellis perennis
Berberis julianae
Bidens andicola
Blepharis scindica
Blepharocalyx salicifolius
Boenninghausenia albiflora
Bombax ceiba
Boronia latipinna
Boswellia sacra
Boswellia serrata
Bothriochloa bladhii
Brassica napus
Bridelia ferruginea
Buddleja cordata
Bunium paucifolium
Bupleurum chinense
Bupleurum fruticescens
Bupleurum fruticosum
Bupleurum gibraltaricum
Bupleurum rigidum
Bystropogon origanifolius
Cananga odorata
Canarium luzonicum
Canella winterana
Cannabis sativa
Capsicum annuum
Carapichea ipecacuanha
Cardamine heptaphylla
Carum carvi
Cassinia subtropica
Castanopsis cuspidata
Catha edulis
Catharanthus roseus
Cedrus libani
Centaurea cheiranthifolia
Centaurea solstitialis
Centella asiatica
Cerbera odollam
Chaerophyllum macrospermum
Chamaecyparis lawsoniana
Chamaecyparis obtusa
Chamaecyparis pisifera
Chamaemelum nobile
Chromolaena odorata
Chrysanthemum indicum
Chrysanthemum morifolium
Chrysopogon zizanioides
Cicuta virosa
Ciliosemina pedunculata
Cinnamomum aromaticum
Cinnamomum camphora
Cinnamomum chekiangense
Cinnamomum sieboldii
Cinnamomum verum
Cistus creticus
Cistus monspeliensis
Citrus × aurantium
Citrus deliciosa
Citrus limon
Citrus maxima
Citrus medica
Citrus trifoliata
Cladanthus arabicus
Clausena anisata
Cleistopholis patens
Cleonia lusitanica
Clinopodium brownei
Clinopodium gilliesii
Clinopodium grandiflorum
Clinopodium menthifolium subsp. menthifolium
Clinopodium nepeta subsp. spruneri
Clinopodium serpyllifolium subsp. fruticosum
Clinopodium suaveolens
Cneorum pulverulentum
Codonocarpus attenuatus
Coespeletia timotensis
Colchicum arenarium
Coleostephus myconis
Commiphora gurreh
Commiphora sphaerocarpa
Comptonia peregrina
Conioselinum anthriscoides
Coptis chinensis
Coptis deltoidea
Coptis japonica
Coptis teeta
Coriandrum sativum
Corymbia maculata
Crambe tatarica
Crateva magna
Cratoxylum formosum subsp. pruniflorum
Crithmum maritimum
Crocus sativus
Croton adenocalyx
Croton eluteria
Croton micans
Croton sonderianus
Cryptocarya agathophylla
Cryptomeria japonica
Cryptotaenia japonica
Cuminum cyminum
Cunila microcephala
Cupressus macrocarpa
Cupressus nootkatensis
Cupressus sempervirens
Curcuma kwangsiensis
Curcuma longa
Curcuma mangga
Curcuma phaeocaulis
Curcuma pierreana
Curcuma wenyujin
Curcuma zedoaria
Cymbopogon citratus
Cymbopogon distans
Cymbopogon flexuosus
Cymbopogon nardus
Cyperus rotundus
Dacrydium nausoriense
Daphnandra johnsonii
Daphne mezereum
Daucus carota
Davallia perdurans
Dianella revoluta
Diospyros eriantha
Diospyros ferrea
Diospyros verrucosa
Diplotaenia cachrydifolia
Dittrichia viscosa subsp. viscosa
Dracocephalum kotschyi
Ducrosia anethifolia
Ducrosia ismaelis
Echinacea pallida
Echinophora orientalis
Echinophora tenuifolia
Elettaria cardamomum
Elsholtzia blanda
Elsholtzia ciliata
Elsholtzia fruticosa
Elsholtzia pilosa
Elsholtzia splendens
Elwendia persica
Enydra fluctuans
Ephedra sinica
Epimedium davidii
Eriobotrya japonica
Eryngium foetidum
Erysimum odoratum
Erythrina burttii
Etlingera elatior
Eucalyptus apodophylla
Eucalyptus brassiana
Eucalyptus camaldulensis
Eucalyptus cloeziana
Eucalyptus dealbata
Eucalyptus delegatensis
Eucalyptus forrestiana
Eucalyptus globulus
Eucalyptus jensenii
Eucalyptus leucoxylon
Eucalyptus nitens
Eucalyptus pulverulenta
Eucalyptus radiata
Eucalyptus staigeriana
Eugenia dysenterica
Eugenia uniflora
Euonymus nanoides
Euonymus tingens
Eupatorium cannabinum
Eupatorium capillifolium
Eupatorium fortunei
Euphorbia cornigera
Ferula assa-foetida
Ferula feruloides
Ferula ovina
Ferulago nodosa
Ferulago thirkeana
Ferulago trachycarpa
Ficus carica
Flourensia cernua
Foeniculum vulgare
Forsythia suspensa
Forsythia viridissima
Fritillaria monantha
Frullania brittoniae
Frullania monocera
Frullania tamarisci
Garcinia oligantha
Girgensohnia diptera
Glehnia littoralis
Globba variabilis
Gonzalezia decurrens
Gossypium hirsutum
Grangea maderaspatana
Grindelia hirsutula
Guilandina bonduc
Gutierrezia sarothrae
Gyrothyra underwoodiana
Halocarpus bidwillii
Halocarpus biformis
Halocarpus kirkii
Hansenia forbesii
Hansenia weberbaueriana
Hedychium coronarium
Helichrysum bracteiferum
Helichrysum italicum
Helichrysum odoratissimum
Helichrysum taenari
Heracleum dissectum
Heracleum persicum
Hesperis matronalis
Hesperozygis rhododon
Heteropyxis natalensis
Heterotheca inuloides
Hippeastrum aulicum
Hoffmannia strigillosa
Homalomena occulta
Houttuynia cordata
Humulus lupulus
Hylocomium splendens
Hypericum heterophyllum
Hypericum perforatum
Hypericum rumeliacum
Hypericum triquetrifolium
Hyptis emoryi
Hyptis spicigera
Hyptis suaveolens
Hyssopus officinalis
Hyssopus officinalis subsp. aristatus
Hyssopus seravschanicus
Ilex amara
Illicium difengpi
Illicium verum
Iris spuria
Isatis tinctoria
Isodon japonicus
Isodon melissoides
Ixora chinensis
Jacobaea erucifolia subsp. argunensis
Jacobaea subalpina
Jungermannia vulcanicola
Juniperus chinensis
Juniperus communis
Juniperus drupacea
Juniperus foetidissima
Juniperus jaliscana
Juniperus monticola
Juniperus oxycedrus
Kippistia suaedifolia
Knightia excelsa
Kokoona ochracea
Kokoona reflexa
Kunzea salina
Laggera alata
Laggera crispata
Lagoecia cuminoides
Lamprolobium fruticosum
Lantana camara subsp. aculeata
Lanxangia tsaoko
Larix decidua
Larix gmelinii var. gmelinii
Larix gmelinii var. olgensis
Larix kaempferi
Larix laricina
Larix sibirica
Laser trilobum
Lasiosiphon lampranthus
Latua pubiflora
Laurus nobilis
Lavandula angustifolia
Lavandula angustifolia subsp. angustifolia
Lavandula latifolia
Lavandula stoechas
Lavandula stoechas subsp. luisieri
Leionema gracile
Leonotis leonurus
Leonurus glaucescens
Lepechinia chamaedryoides
Lepechinia floribunda
Lepidium draba
Leptospermum scoparium
Levisticum officinale
Ligularia hodgsonii
Ligusticum officinale
Ligusticum striatum
Lippia alba
Lippia chevalierii
Lippia multiflora
Lippia origanoides
Liquidambar styraciflua
Liriodendron tulipifera
Litchi chinensis
Litsea cubeba
Litsea glaucescens
Machilus obovatifolia
Maesa ramentacea
Magnolia balansae
Magnolia liliiflora
Malus pumila
Mangifera indica
Manoao colensoi
Medicago sativa
Melaleuca alternifolia
Melaleuca linariifolia
Melaleuca quinquenervia
Mentha × piperita
Mentha × verticillata
Mentha aquatica
Mentha arvensis
Mentha canadensis
Mentha pulegium
Mentha spicata
Mentha suaveolens
Metrosideros umbellata
Micromeria biflora
Micromeria maderensis
Micromeria myrtifolia
Micromeria pineolens
Mikania cordifolia
Mikania grazielae
Millettia erythrocalyx
Millettia laurentii
Minthostachys andina
Minthostachys glabrescens
Minthostachys mollis
Monarda citriodora
Monarda fistulosa
Monodora tenuifolia
Montanoa tomentosa
Moringa oleifera
Mosla cavaleriei
Mosla chinensis
Myristica fragrans
Myrrhis odorata
Myrsine lancifolia
Myrtus communis
Nelumbo lutea
Nepeta annua
Nepeta multifida
Nepeta nuda
Nepeta racemosa
Nepeta tenuifolia
Nepeta viscida
Nicotiana alata
Ocimum americanum
Ocimum basilicum
Ocimum campechianum
Ocimum grandiflorum
Ocimum gratissimum
Ocimum gratissimum subsp. gratissimum
Ocimum kilimandscharicum
Ocimum tenuiflorum
Oenanthe aquatica
Ononis vaginalis
Ophrys sphegodes
Oplopanax elatus
Opuntia ficus-indica
Origanum × adanense
Origanum acutidens
Origanum cordifolium
Origanum dictamnus
Origanum hypericifolium
Origanum laevigatum
Origanum majorana
Origanum majoricum
Origanum minutiflorum
Origanum onites
Origanum sipyleum
Origanum syriacum
Origanum vulgare
Origanum vulgare subsp. gracile
Origanum vulgare subsp. virens
Osbornia octodonta
Panax ginseng
Panax notoginseng
Panax quinquefolius
Parthenium argentatum
Parthenium tomentosum
Pelargonium citronellum
Pelargonium graveolens
Pelargonium quercifolium
Pelargonium vitifolium
Peperomia circinnata
Perilla frutescens
Periploca sepium
Persea americana
Persicaria bistorta
Peucedanum zenkeri
Phlomis lanata
Phyllanthus emblica
Phyllocladus trichomanoides
Picea abies
Picea glehnii
Picea koraiensis
Picea mariana
Pilocarpus grandiflorus
Pilocarpus pauciflorus
Pimenta racemosa
Pimpinella anisum
Pimpinella serbica
Pinus aristata
Pinus brutia var. pityusa
Pinus cembra
Pinus contorta
Pinus densiflora
Pinus edulis
Pinus elliottii var. elliottii
Pinus flexilis
Pinus hartwegii
Pinus heldreichii
Pinus massoniana
Pinus merkusii
Pinus peuce
Pinus ponderosa
Pinus pumila
Pinus remota
Pinus sibirica
Pinus strobus
Pinus sylvestris
Piper aduncum
Piper arboreum
Piper auritum
Piper callosum
Piper corcovadense
Piper cubeba
Piper gaudichaudianum
Piper gibbilimbum
Piper guineense
Piper marginatum
Piper nigrum
Piper regnellii
Pistacia atlantica
Pistacia lentiscus
Pistacia vera
Pittocaulon bombycophole
Pittosporum balfourii
Platycladus orientalis
Pleodendron costaricense
Pleogyne australis
Pluchea dioscoridis
Pluchea odorata
Podophyllum hexandrum
Poliomintha incana
Polyachyrus sphaerocephalus
Polygala amara
Porophyllum gracile
Porophyllum ruderale
Portulaca oleracea
Potentilla indica
Prangos uloptera
Prioria pinnata
Protium heptaphyllum
Prunella vulgaris
Pseudoconyza viscosa
Pseudotsuga menziesii
Psiadia altissima
Psidium guajava
Psidium salutare
Pteris semipinnata
Pteronia incana
Ptychopetalum olacoides
Punica granatum
Pycnanthemum floridanum
Pyrola decorata
Pyrola rotundifolia
Quercus ilex
Quercus petraea subsp. petraea
Quercus serrata
Raukaua simplex
Rhanterium epapposum
Rhodiola crenulata
Rhodiola rosea
Rhododendron groenlandicum
Rhododendron micranthum
Rhododendron tomentosum
Rhododendron yunnanense
Rosa centifolia
Rosa gallica
Rosmarinus officinalis
Rubus allegheniensis
Rubus pungens
Rubus trifidus
Rudbeckia hirta
Ruta graveolens
Sagittaria sagittifolia
Salacia lehmbachii
Salacia madagascariensis
Salvia abrotanoides
Salvia absconditiflora
Salvia aurea
Salvia barrelieri
Salvia caespitosa
Salvia cuspidata subsp. gilliesii
Salvia dorisiana
Salvia fruticosa
Salvia hispanica
Salvia mellifera
Salvia officinalis
Salvia pomifera
Salvia sahendica
Salvia sclarea
Salvia yosgadensis
Sanguisorba minor
Santolina chamaecyparissus
Santolina rosmarinifolia
Sassafras albidum
Satureja cuneifolia
Satureja hortensis
Satureja spicigera
Satureja thymbra
Satureja wiedemanniana
Saussurea lyrata
Scalesia cordata
Schinus molle
Schisandra chinensis
Schraderanthus viscosa
Scorzonera pseudodivaricata
Scutellaria lateriflora
Senna alexandrina
Sequoia sempervirens
Sequoiadendron giganteum
Seriphidium spicigerum
Sideritis brevibracteata
Sideritis chamaedryfolia
Sideritis dichotoma
Sideritis hirsuta
Sideritis hispida
Sideritis lanata
Sideritis lyciae
Sideritis perfoliata
Sideritis perfoliata subsp. athoa
Sideritis tragoriganum
Sideroxylon cubense
Sium latifolium
Smallanthus glabratus
Solanecio biafrae
Solanum acaule
Solanum stramoniifolium
Solanum stuckertii
Solidago canadensis
Solidago gigantea
Solidago litoralis
Solidago odora
Sophora flavescens
Sphagneticola trilobata
Spiranthera odoratissima
Steganotaenia araliacea
Stenocereus griseus
Stephania sutchuenensis
Stevia alpina
Stevia rebaudiana
Styrax
Swertia delavayi
Swertia japonica
Syncarpia hillii
Syzygium aromaticum
Syzygium cumini
Syzygium nervosum
Tagetes lucida
Tagetes minuta
Tamarindus indica
Tamarix gallica
Tambourissa leptophylla
Tanacetum annuum
Tanacetum millefolium
Tanacetum parthenium
Tanacetum vulgare
Taxodium distichum
Tessaria fastigiata
Tetradium ruticarpum
Tetraneuris acaulis
Teucrium bidentatum
Teucrium cyprium
Teucrium montanum
Teucrium polium
Teucrium salviastrum
Thapsia villosa
Thuja occidentalis
Thuja plicata
Thymbra capitata
Thymbra spicata
Thymus baeticus
Thymus camphoratus
Thymus eigii
Thymus funkii
Thymus longicaulis
Thymus membranaceus
Thymus nummularius
Thymus pectinatus
Thymus pubescens
Thymus quinquecostatus
Thymus revolutus
Thymus riatarum
Thymus saturejoides
Thymus sibthorpii
Thymus thracicus
Thymus villosus
Thymus vulgaris
Thymus willkommii
Thymus zygioides
Thymus zygis
Tilesia baccata
Toddalia asiatica
Trachyspermum ammi
Trachyspermum anethifolium
Trichostema dichotomum
Tsuga canadensis
Umbellularia californica
Unonopsis glaucopetala
Uvaria chamae
Vaccinium corymbosum
Vaccinium vitis-idaea
Vachellia farnesiana var. farnesiana
Valeriana jatamansi
Valeriana officinalis
Varronia curassavica
Vepris hiernii
Verbesina diversifolia
Viola hondoensis
Virola surinamensis
Vismia jefensis
Vitex agnus-castus
Vitex negundo
Vitex trifolia
Warburgia ugandensis
Wurfbainia compacta
Wurfbainia longiligularis
Wurfbainia neoaurantiaca
Wurfbainia villosa
Wurfbainia villosa var. xanthioides
Xylopia aromatica
Xylopia sericea
Zanthoxylum armatum
Zanthoxylum bungeanum
Zanthoxylum chalybeum
Zanthoxylum gilletii
Zanthoxylum schinifolium
Zanthoxylum simulans
Zanthoxylum zanthoxyloides
Zea mays
Zieria arborescens
Zieria smithii
Zingiber mioga
Zingiber officinale
Zingiber zerumbet

Cross-Links

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PubChem 31253
NPASS NPC138113
ChEMBL CHEMBL455491
LOTUS LTS0115731
wikiData Q424577