(E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene

Details

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Internal ID 65bae043-3463-4655-85ee-b72b8d9150ef
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name (6E,10E)-7,11,15-trimethyl-3-methylidenehexadeca-1,6,10,14-tetraene
SMILES (Canonical) CC(=CCCC(=CCCC(=CCCC(=C)C=C)C)C)C
SMILES (Isomeric) CC(=CCC/C(=C/CC/C(=C/CCC(=C)C=C)/C)/C)C
InChI InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,1,4,8-10,12-13,16H2,2-3,5-6H3/b19-15+,20-14+
InChI Key XSIVJVJUIXOEPW-YTOAGJIJSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32
Molecular Weight 272.50 g/mol
Exact Mass 272.250401021 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 8.00

Synonyms

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70901-63-2
beta-Springene
CHEBI:192745
XSIVJVJUIXOEPW-YTOAGJIJSA-N
DTXSID101016459
(6E,10E)-7,11,15-trimethyl-3-methylidenehexadeca-1,6,10,14-tetraene
(e,e)-7,11,15-trimethyl-3-methylenehexadeca-1,6,10,14-tetraene
3-METHYLENE-7,11,15-TRIMETHYL-1,6,10,14-HEXADECATETRAENE
(6E,10E)-7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetraene
(6E,10E)-7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetraene #

2D Structure

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2D Structure of (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene

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 91.83% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.16% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.49% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.99% 94.45%
CHEMBL2581 P07339 Cathepsin D 81.30% 98.95%
CHEMBL4246 P42680 Tyrosine-protein kinase TEC 80.32% 82.05%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.01% 99.17%

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.
Nicotiana tabacum

Cross-Links

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PubChem 5365895
LOTUS LTS0195865
wikiData Q104375874