3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraenyl formate

Details

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Internal ID e5eb65a2-bb04-4afd-8aff-145a066470af
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl formate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H34O2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-23-17-22/h9,11,13,15,17H,6-8,10,12,14,16H2,1-5H3
InChI Key YCTKONHGXCYDJD-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H34O2
Molecular Weight 318.50 g/mol
Exact Mass 318.255880323 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 7.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraenyl formate

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 93.69% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.13% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.07% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.30% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.13% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.27% 91.11%

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.
Bixa orellana

Cross-Links

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PubChem 54501516
LOTUS LTS0224353
wikiData Q105346477