Deca-6,8-diene-1,3,5-triol

Details

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Internal ID 0bdf7a09-e13f-46ed-8a85-3246cfb5d044
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name deca-6,8-diene-1,3,5-triol
SMILES (Canonical) CC=CC=CC(CC(CCO)O)O
SMILES (Isomeric) CC=CC=CC(CC(CCO)O)O
InChI InChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,9-13H,6-8H2,1H3
InChI Key RDEMBVWNDISGTG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O3
Molecular Weight 186.25 g/mol
Exact Mass 186.125594432 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Deca-6,8-diene-1,3,5-triol

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 92.79% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.53% 96.09%
CHEMBL2581 P07339 Cathepsin D 89.56% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.50% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.63% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 83.99% 93.31%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.83% 97.25%
CHEMBL2885 P07451 Carbonic anhydrase III 83.41% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.78% 97.29%

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 72737944
LOTUS LTS0028580
wikiData Q104196486