methyl (2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoate

Details

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Internal ID b1bfb483-7882-41ac-beb7-5144b62f1415
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name methyl (2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6-9,12H,10H2,1H3/b8-6+,9-7+
InChI Key KDEVFRDBFLWTKI-CDJQDVQCSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10O3
Molecular Weight 190.19 g/mol
Exact Mass 190.062994177 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 1.10

Synonyms

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methyl (2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoate
CHEBI:216654

2D Structure

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2D Structure of methyl (2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoate

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 94.42% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.25% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.14% 99.17%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.70% 89.34%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.32% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.96% 94.33%

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 101412911
LOTUS LTS0220651
wikiData Q76809852