3,7,11-Trimethyl-14-(prop-1-en-2-yl)cyclotetradeca-3,7,11-trien-1-ol

Details

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Internal ID 5ffebea0-adf7-440b-aa62-b739d880dae9
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids
IUPAC Name 3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3
InChI Key HTWXQGABXITTNW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O
Molecular Weight 288.50 g/mol
Exact Mass 288.245315640 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.80

Synonyms

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DTXSID90759732
3,7,11-Trimethyl-14-(prop-1-en-2-yl)cyclotetradeca-3,7,11-trien-1-ol

2D Structure

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2D Structure of 3,7,11-Trimethyl-14-(prop-1-en-2-yl)cyclotetradeca-3,7,11-trien-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.28% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.30% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.65% 97.25%
CHEMBL2581 P07339 Cathepsin D 88.28% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.94% 93.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.42% 100.00%

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 71331115
LOTUS LTS0087705
wikiData Q82713973