Methyleugenol

Details

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Internal ID 93023ae0-d507-4d1f-bc3a-69ddb44a0c15
Taxonomy Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
IUPAC Name 1,2-dimethoxy-4-prop-2-enylbenzene
SMILES (Canonical) COC1=C(C=C(C=C1)CC=C)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)CC=C)OC
InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
InChI Key ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Popularity 1,674 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O2
Molecular Weight 178.23 g/mol
Exact Mass 178.099379685 g/mol
Topological Polar Surface Area (TPSA) 18.50 Ų
XlogP 2.50

Synonyms

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Methyl eugenol
93-15-2
4-Allyl-1,2-dimethoxybenzene
Eugenol methyl ether
4-Allylveratrole
O-Methyleugenol
Eugenyl methyl ether
Methyl eugenol ether
Veratrole methyl ether
Methyl eugenyl ether
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methyleugenol

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
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 31622.8 nM
Potency
via CMAUP
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 46500 nM
EC50
PMID: 22381047
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 40000 nM
EC50
PMID: 22381047

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.49% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 91.90% 90.20%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.20% 86.33%
CHEMBL2581 P07339 Cathepsin D 89.89% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.00% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.22% 90.24%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.04% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.88% 94.45%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 83.02% 97.88%
CHEMBL4208 P20618 Proteasome component C5 82.25% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.21% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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Achillea abrotanoides
Aconitum episcopale
Aconitum fischeri
Acorus calamus
Acorus calamus var. angustatus
Acorus gramineus
Actaea cimicifuga
Actaea dahurica
Actaea simplex
Agastache foeniculum
Agastache rugosa
Akebia quinata
Akebia trifoliata
Alpinia conchigera
Alpinia galanga
Anemopsis californica
Angelica acutiloba
Angelica gigas
Angelica sinensis
Aniba puchury-minor
Anisosciadium orientale
Apocynum androsaemifolium
Ardisia humilis
Arnebia euchroma
Arnebia guttata
Artemisia arborescens
Artemisia argyi
Artemisia capillaris
Artemisia dracunculus
Artemisia scoparia
Artemisia sericea
Asarum canadense
Asarum europaeum
Asarum fauriei var. takaoi
Asarum heterotropoides
Asarum hexalobum
Asarum megacalyx
Asarum nipponicum var. nankaiense
Asarum sieboldii
Asarum simile
Athamanta vayredana
Atherosperma moschatum
Baccharis alaternoides
Baccharis dracunculifolia
Boronia pinnata
Cananga odorata
Canella winterana
Cannabis sativa
Cantinoa mutabilis
Chaenomeles sinensis
Chamaecrista duckeana
Cinnamomum aromaticum
Cinnamomum oliveri
Cinnamomum parthenoxylon
Cinnamomum sieboldii
Cinnamomum verum
Cistus creticus
Citrus limon
Clematis chinensis
Conioselinum anthriscoides
Coptis omeiensis
Coreopsis fasciculata
Cornus officinalis
Croton eluteria
Croton glandulosus
Croton lachnostachyus
Croton malambo
Croton nepetifolius
Croton triangularis
Cryptocarya agathophylla
Cymbopogon flexuosus
Damburneya purpurea
Daphne genkwa
Daucus carota
Echinophora tenuifolia
Echinophora tenuifolia subsp. sibthorpiana
Elettaria cardamomum
Elsholtzia ciliata
Elsholtzia splendens
Eremanthus arboreus
Espeletia grandiflora
Etlingera cevuga
Garcinia oligantha
Glehnia littoralis
Guilandina bonduc
Gundelia tournefortii
Hamamelis virginiana
Huperzia yunnanensis
Hyacinthus orientalis
Hyssopus officinalis
Illicium difengpi
Illicium dunnianum
Iris spuria
Isatis tinctoria
Juniperus comitana
Juniperus jaliscana
Lagascea mollis
Lantana camara
Laurus nobilis
Ligusticum officinale
Ligusticum striatum
Lithospermum erythrorhizon
Magnolia liliiflora
Magnolia officinalis
Magnolia salicifolia
Manilkara zapota
Melaleuca alternifolia
Melaleuca bracteata
Micromeria sinaica
Monopteryx uauca
Morina persica
Mosla chinensis
Musa × paradisiaca
Myristica fragrans
Myrtus communis
Ocimum basilicum
Ocimum gratissimum
Ocimum gratissimum subsp. gratissimum
Ocimum tenuiflorum
Paeonia lactiflora
Pelargonium quercifolium
Persea americana
Philotheca fitzgeraldii
Phyllanthus emblica
Picea koraiensis
Pimenta racemosa
Pimpinella puberula
Pinellia ternata
Pinus densiflora
Piper auritum
Piper betle
Piper guineense
Piper marginatum
Piper nigrum
Piper sanctum
Piper sylvestre
Plectranthus amboinicus
Polygala sibirica
Polygala tenuifolia
Proiphys amboinensis
Prunus dulcis
Pteronia camphorata
Pulmonaria mollis
Rhanterium epapposum
Rosa gallica
Rosa multiflora
Rosa rugosa
Rosmarinus officinalis
Rubus trifidus
Salvia absconditiflora
Salvia sclarea
Sassafras albidum
Scutellaria barbata
Solidago odora
Sophora flavescens
Spathiphyllum cannifolium
Spondias mombin
Stevia rebaudiana
Swertia japonica
Syzygium aromaticum
Tagetes filifolia
Tanacetum parthenium
Tetracera alnifolia
Thapsia maxima
Thapsia transtagana
Thymus membranaceus
Todaroa aurea
Trachyspermum ammi
Umbellularia californica
Uvariopsis tripetala
Virola surinamensis
Vitis rotundifolia
Zanthoxylum bungeanum
Zanthoxylum gilletii
Zieria murphyi
Zieria smithii
Zingiber officinale

Cross-Links

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PubChem 7127
NPASS NPC292792
ChEMBL CHEMBL108861
LOTUS LTS0098881
wikiData Q419829