Deca-2,6,8-trien-4-yn-1-ol

Details

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Internal ID be7f0569-d6f0-46b6-ac12-cf695e43fe6f
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name deca-2,6,8-trien-4-yn-1-ol
SMILES (Canonical) CC=CC=CC#CC=CCO
SMILES (Isomeric) CC=CC=CC#CC=CCO
InChI InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-9,11H,10H2,1H3
InChI Key AFKFCQJXPWXBRZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12O
Molecular Weight 148.20 g/mol
Exact Mass 148.088815002 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Deca-2,6,8-trien-4-yn-1-ol

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
CHEMBL4040 P28482 MAP kinase ERK2 92.23% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.70% 96.09%

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.
Grindelia hirsutula

Cross-Links

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PubChem 85519066
LOTUS LTS0199138
wikiData Q104911277