3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18-pentaen-1-ol

Details

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Internal ID 0efb2cb3-a098-4b57-8026-333a6323d7b3
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
IUPAC Name 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaen-1-ol
SMILES (Canonical) CC(C)CCCC(C)CCCC(C)CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C
SMILES (Isomeric) CC(C)CCCC(C)CCCC(C)CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C
InChI InChI=1S/C40H72O/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/h23,25,27,29,31,33-35,41H,10-22,24,26,28,30,32H2,1-9H3
InChI Key SMUWLCJFOPNHEH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C40H72O
Molecular Weight 569.00 g/mol
Exact Mass 568.55831692 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 15.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18-pentaen-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
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.02% 97.29%
CHEMBL2581 P07339 Cathepsin D 89.90% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.54% 93.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.39% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.33% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 85.76% 93.31%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.32% 91.11%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.44% 92.08%
CHEMBL2039 P27338 Monoamine oxidase B 83.18% 92.51%
CHEMBL3401 O75469 Pregnane X receptor 81.97% 94.73%
CHEMBL2885 P07451 Carbonic anhydrase III 81.82% 87.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.99% 96.47%

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 162976485
LOTUS LTS0056905
wikiData Q105256178