1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-

Details

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Internal ID 307aab81-ab6e-433a-87df-4dc96bf49392
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name 1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
SMILES (Canonical) CC1=CCCC(=C)C=CC(CC1)C(C)C
SMILES (Isomeric) CC1=CCCC(=C)C=CC(CC1)C(C)C
InChI InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3
InChI Key GAIBLDCXCZKKJE-UHFFFAOYSA-N
Popularity 137 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.70

Synonyms

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1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-
37839-63-7
1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
DTXSID101019972
AKOS028109878
FT-0700856
8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene

2D Structure

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2D Structure of 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-

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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.74% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.64% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.30% 93.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.74% 96.47%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 82.76% 97.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.73% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.14% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.13% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.45% 97.09%
CHEMBL1871 P10275 Androgen Receptor 81.33% 96.43%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.89% 95.89%

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.
Acritopappus confertus
Acritopappus prunifolius
Ageratina anisochroma
Ageratina riparia
Ageratum fastigiatum
Aldama helianthoides
Alisma plantago-aquatica subsp. orientale
Artemisia annua
Artemisia douglasiana
Artemisia dracunculus
Artemisia filifolia
Artemisia frigida
Artemisia gmelinii
Artemisia koidzumii
Artemisia rutifolia
Aspilia mossambicensis
Athrixia elata
Austrobrickellia patens
Austroeupatorium chaparense
Ayapana amygdalina
Baccharis kingii
Baccharis minutiflora
Bidens cynapiifolia
Bishovia boliviensis
Brachylaena discolor var. transvaalensis
Brickellia diffusa
Brickellia veronicaefolia
Calea morii
Calea reticulata
Calea rotundifolia
Calea sickii
Callilepis laureola
Caputia tomentosa
Chromolaena arnottiana
Chromolaena connivens
Clibadium armanii
Conocliniopsis prasiifolia
Coreopsis grandiflora
Curio talinoides
Dendropanax trifidus
Dimerostemma brasilianum
Dimerostemma lippioides
Disynaphia multicrenulata
Echinacea purpurea
Eremanthus brasiliensis
Eremanthus crotonoides
Eremanthus glomerulatus
Eugenia uniflora
Eupatorium serotinum
Falcaria vulgaris
Felicia erigeroides
Fleischmannia pratensis
Flourensia heterolepis
Geigeria aspera
Goyazianthus tetrastichus
Grindelia hirsutula
Gutierrezia sarothrae
Gymnanthemum corymbosum
Gynoxys acostae
Gynoxys dielsiana
Halocarpus bidwillii
Halocarpus biformis
Hartwrightia floridana
Helichrysum glomeratum
Helichrysum herbaceum
Helichrysum splendidum
Hertia pallens
Heterotheca grandiflora
Hilliardiella aristata
Ichthyothere connata
Ichthyothere terminalis
Inezia integrifolia
Inulanthera tridens
Isocoma veneta
Iva annua
Jackiella javanica
Jacobaea vulgaris
Kleinia petraea
Lasiolaena morii
Lessingianthus compactiflorus
Lessingianthus linearis
Leucanthemum maximum
Liatris squarrosa
Ligularia fischeri
Ligularia thyrsoidea
Loxothysanus sinuatus
Mattfeldanthus andrade-limae
Microglossa pyrrhopappa
Mikania arrojadoi
Mikania goyazensis
Milleria quinqueflora
Neomirandea arthodes
Nidorella hottentotica
Nidorella podocephala
Ophryosporus floribundus
Osteospermum thodei
Pappobolus stuebelii
Pegolettia senegalensis
Perymeniopsis ovalifolia
Picradeniopsis multiflora
Pinus heldreichii
Pinus nigra subsp. pallasiana
Pinus pinaster
Pinus sibirica
Pinus sylvestris var. hamata
Piper aduncum
Piptolepis leptospermoides
Planaltoa lychnophoroides
Pleiotaxis rugosa
Polemannia montana
Polymnia canadensis
Prumnopitys andina
Pseudognaphalium oligandrum
Santolina rosmarinifolia
Schistostephium crataegifolium
Schkuhria schkuhrioides
Senecio coronatus
Senecio gallicus
Senecio lanceus
Senecio subrubriflorus
Senecio subsessilis
Senecio variabilis
Shorea robusta
Sideritis hirsuta
Sideritis tragoriganum
Silphium perfoliatum
Smallanthus uvedalia
Solidago canadensis
Solidago spathulata
Stevia amambayensis
Stevia eupatoria
Stilpnopappus trichospiroides
Symphyopappus compressus
Syncretocarpus sericeus
Syneilesis aconitifolia
Tamaulipa azurea
Thymus camphoratus
Toona ciliata
Torilis japonica
Trixis divaricata subsp. divaricata
Trixis pterocaulis
Ursinia serrata
Valeriana officinalis
Verbesina glabrata
Verbesina sordescens
Viguiera grammatoglossa
Wedelia hookeriana
Wunderlichia mirabilis
Xanthium strumarium
Zinnia peruviana

Cross-Links

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PubChem 91104
LOTUS LTS0018398
wikiData Q104166947