Pentadeca-8,10,14-trien-4,6-diyn-3-ol

Details

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Internal ID 44b4d1f5-c3e9-470c-9112-44d97d34859c
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name pentadeca-8,10,14-trien-4,6-diyn-3-ol
SMILES (Canonical) CCC(C#CC#CC=CC=CCCC=C)O
SMILES (Isomeric) CCC(C#CC#CC=CC=CCCC=C)O
InChI InChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3,7-10,15-16H,1,4-6H2,2H3
InChI Key PPECZXSSUPUVQR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H18O
Molecular Weight 214.30 g/mol
Exact Mass 214.135765193 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Pentadeca-8,10,14-trien-4,6-diyn-3-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.19% 96.09%
CHEMBL2581 P07339 Cathepsin D 84.69% 98.95%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 83.86% 97.34%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.58% 97.25%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.45% 96.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.84% 99.17%

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.
Cotula coronopifolia

Cross-Links

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PubChem 71434933
LOTUS LTS0122163
wikiData Q105212845