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(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID e868a460-86c2-43f7-b698-6e91f61e8fdb
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Polyprenols
IUPAC Name (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol
SMILES (Canonical) CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)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/CO)/C)/C)/C)/C)/C)/C)/C)C
InChI InChI=1S/C40H66O/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-41/h17,19,21,23,25,27,29,31,41H,10-16,18,20,22,24,26,28,30,32H2,1-9H3/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+
InChI Key BZORESSIXXHLNB-DJMILUHSSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C40H66O
Molecular Weight 562.90 g/mol
Exact Mass 562.511366725 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 14.00

Synonyms

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all-trans-octaprenol
(all-E)-octaprenol
OCTAPRENOL
SCHEMBL7944389
BZORESSIXXHLNB-DJMILUHSSA-N
CHEBI:147320
2,6,10,14,18,22,26,30-Dotriacontaoctaen-1-ol, 3,7,11,15,19,23,27,31-octamethyl-, (all-E)-
33569-79-8
(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-ol #

2D Structure

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2D Structure of (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-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.
Ononis natrix

Cross-Links

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PubChem 5366019
LOTUS LTS0222925
wikiData Q104950604