(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine

Details

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Internal ID 9276cdf7-353e-47bf-b877-6d1e0eea82cd
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H27N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12,16H2,1-4H3/b14-9+,15-11-
InChI Key BDKQVCHNTAJNJR-PVMFERMNSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H27N
Molecular Weight 221.38 g/mol
Exact Mass 221.214349865 g/mol
Topological Polar Surface Area (TPSA) 26.00 Ų
XlogP 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine

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 93.38% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.15% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.23% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 83.41% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.28% 96.95%
CHEMBL221 P23219 Cyclooxygenase-1 81.70% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.87% 99.17%

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 18598171
LOTUS LTS0046291
wikiData Q104924339