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3,7,11,15-Tetramethyl-2E,6E,10E,14-hexadecatetraenyl acetate

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 7d98ec82-f93b-49f2-a9f0-a949823ee96c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
SMILES (Canonical) CC(=CCCC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C)C
SMILES (Isomeric) CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC(=O)C)/C)/C)/C)C
InChI InChI=1S/C22H36O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+
InChI Key NHYSRKKHKHCRGR-RFRQLJORSA-N
Popularity 35 references in papers

Physical and Chemical Properties

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Molecular Formula C22H36O2
Molecular Weight 332.50 g/mol
Exact Mass 332.271530387 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 7.20

Synonyms

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geranylgeranyl acetate
SCHEMBL1301763
SCHEMBL1301765
NHYSRKKHKHCRGR-RFRQLJORSA-N
LMFA07010351
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl acetate #
2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E,6E,10E)-
2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-

2D Structure

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2D Structure of 3,7,11,15-Tetramethyl-2E,6E,10E,14-hexadecatetraenyl acetate

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 92.88% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.44% 92.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.24% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 84.23% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.79% 94.45%
CHEMBL2581 P07339 Cathepsin D 81.15% 98.95%
CHEMBL340 P08684 Cytochrome P450 3A4 80.41% 91.19%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.11% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.10% 96.95%

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.
There are no matching plants.

Cross-Links

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PubChem 5366012
LOTUS LTS0070765
wikiData Q105179671