Heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol

Details

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Internal ID 7e5da487-b35f-4141-88aa-8b709c69449a
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol
SMILES (Canonical) C=CCCCCC=CC=CC#CC#CC=CCO
SMILES (Isomeric) C=CCCCCC=CC=CC#CC#CC=CCO
InChI InChI=1S/C17H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2,7-10,15-16,18H,1,3-6,17H2
InChI Key VNZGFKQARLEAQK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H20O
Molecular Weight 240.34 g/mol
Exact Mass 240.151415257 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Heptadeca-2,8,10,16-tetraen-4,6-diyn-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
CHEMBL3060 Q9Y345 Glycine transporter 2 87.48% 99.17%
CHEMBL242 Q92731 Estrogen receptor beta 86.15% 98.35%
CHEMBL1977 P11473 Vitamin D receptor 83.14% 99.43%
CHEMBL279 P35968 Vascular endothelial growth factor receptor 2 82.74% 95.52%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.91% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.06% 91.11%

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.
Coreopsis gigantea
Coreopsis venusta
Jacobaea erucifolia
Jacobaea vulgaris
Tetragonotheca repanda
Tridax trilobata

Cross-Links

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PubChem 71363266
LOTUS LTS0080792
wikiData Q105290036