2-(2,6-Dimethylocta-5,7-dienyl)-4-methylfuran

Details

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Internal ID 76413ced-7156-49a6-b93c-8368b8e29dae
Taxonomy Organoheterocyclic compounds > Heteroaromatic compounds
IUPAC Name 2-(2,6-dimethylocta-5,7-dienyl)-4-methylfuran
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22O/c1-5-12(2)7-6-8-13(3)9-15-10-14(4)11-16-15/h5,7,10-11,13H,1,6,8-9H2,2-4H3
InChI Key INTWAIGAJZRQEV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O
Molecular Weight 218.33 g/mol
Exact Mass 218.167065321 g/mol
Topological Polar Surface Area (TPSA) 13.10 Ų
XlogP 5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2,6-Dimethylocta-5,7-dienyl)-4-methylfuran

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
CHEMBL3401 O75469 Pregnane X receptor 94.26% 94.73%
CHEMBL2581 P07339 Cathepsin D 93.21% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.23% 91.11%
CHEMBL3837 P07711 Cathepsin L 84.31% 96.61%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.30% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.26% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.23% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.96% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.93% 93.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.35% 99.17%
CHEMBL4072 P07858 Cathepsin B 81.92% 93.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.53% 96.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.38% 97.21%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.37% 95.50%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.26% 93.65%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.05% 89.00%

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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There are no matching plants.

Cross-Links

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PubChem 74051423
LOTUS LTS0071723
wikiData Q105116397