2-[(2E,5Z)-2,6-dimethylocta-2,5,7-trienyl]-4-methylfuran

Details

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Internal ID c8d23d56-73e6-4a09-ae36-a1f6b8242ad6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
IUPAC Name 2-[(2E,5Z)-2,6-dimethylocta-2,5,7-trienyl]-4-methylfuran
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O/c1-5-12(2)7-6-8-13(3)9-15-10-14(4)11-16-15/h5,7-8,10-11H,1,6,9H2,2-4H3/b12-7-,13-8+
InChI Key IHWXEDUOYWYNLL-HAKHBUOSSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O
Molecular Weight 216.32 g/mol
Exact Mass 216.151415257 g/mol
Topological Polar Surface Area (TPSA) 13.10 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(2E,5Z)-2,6-dimethylocta-2,5,7-trienyl]-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 95.19% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.50% 91.11%
CHEMBL2581 P07339 Cathepsin D 90.56% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.16% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.12% 86.33%

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 23425136
LOTUS LTS0157879
wikiData Q105113291