1-(3,7-Dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene

Details

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Internal ID f6a0996a-c079-42c2-b992-810fc0dfa54d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3
InChI Key JUVDBJVBQRAZOR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O
Molecular Weight 290.50 g/mol
Exact Mass 290.260965704 g/mol
Topological Polar Surface Area (TPSA) 9.20 Ų
XlogP 6.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(3,7-Dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.96% 91.11%
CHEMBL2581 P07339 Cathepsin D 87.94% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.96% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 86.63% 92.08%
CHEMBL3401 O75469 Pregnane X receptor 85.61% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.84% 99.17%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.56% 92.68%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.50% 97.25%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.90% 89.34%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.77% 86.33%

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.
Stuckenia pectinata

Cross-Links

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PubChem 76549407
LOTUS LTS0061534
wikiData Q105135424