17-Octadecenal

Details

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Internal ID 40ef44ff-8949-4c8d-8992-3ea31ad523f3
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
IUPAC Name octadec-17-enal
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,18H,1,3-17H2
InChI Key MXCKZUNSOZSBPA-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C18H34O
Molecular Weight 266.50 g/mol
Exact Mass 266.260965704 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 7.60

Synonyms

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octadec-17-enal
56554-86-0
DTXSID80205112
RefChem:79258
DTXCID80127603
MXCKZUNSOZSBPA-UHFFFAOYSA-N
SCHEMBL31049858

2D Structure

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2D Structure of 17-Octadecenal

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
CHEMBL1829 O15379 Histone deacetylase 3 92.27% 95.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 87.00% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.93% 99.17%
CHEMBL4070 P19784 Casein kinase II alpha (prime) 80.74% 91.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.53% 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.
There are no matching plants.

Cross-Links

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PubChem 41922
LOTUS LTS0126919
wikiData Q83078596