(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol

Details

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Internal ID a199bade-ec14-4ca8-b6c2-798c172f5aa7
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Polyprenols
IUPAC Name (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol
SMILES (Canonical) CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C)C)C
SMILES (Isomeric) CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27-,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-
InChI Key TXKJNHBRVLCYFX-GTVVQKTFSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C55H90O
Molecular Weight 767.30 g/mol
Exact Mass 766.69916749 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 19.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.25% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.82% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.45% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.91% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.90% 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.
Arachis hypogaea

Cross-Links

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PubChem 101940093
LOTUS LTS0058102
wikiData Q105266812