(3S,7S,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol

Details

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Internal ID 8eb55db0-5c47-4fba-90bd-5f09c43d751e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name (3S,7S,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol
SMILES (Canonical) CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
SMILES (Isomeric) C[C@H](CCC[C@H](C)CCC[C@@](C)(C=C)O)CCCC(C)C
InChI InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3/t18-,19-,20+/m0/s1
InChI Key KEVYVLWNCKMXJX-SLFFLAALSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H40O
Molecular Weight 296.50 g/mol
Exact Mass 296.307915895 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 7.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3S,7S,11S)-3,7,11,15-tetramethylhexadec-1-en-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
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 91.41% 90.93%
CHEMBL2581 P07339 Cathepsin D 91.31% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.56% 97.29%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 90.08% 96.47%
CHEMBL3401 O75469 Pregnane X receptor 89.49% 94.73%
CHEMBL2885 P07451 Carbonic anhydrase III 88.86% 87.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.21% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 87.97% 93.31%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.10% 85.94%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.63% 97.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.76% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.37% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 40471255
LOTUS LTS0123205
wikiData Q105140216