(2E,6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenal

Details

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Internal ID afa4ae55-5b5f-4e26-99a7-6c325ba70c7e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name (2E,6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenal
SMILES (Canonical) CC(=CCCC(=CCO)C)CCC=C(C)CCC=C(C)C=O
SMILES (Isomeric) C/C(=C\CC/C(=C/CO)/C)/CC/C=C(\C)/CC/C=C(\C)/C=O
InChI InChI=1S/C20H32O2/c1-17(10-6-12-19(3)14-15-21)8-5-9-18(2)11-7-13-20(4)16-22/h9-10,13-14,16,21H,5-8,11-12,15H2,1-4H3/b17-10+,18-9+,19-14+,20-13+
InChI Key KCYMCVRPBNLHNC-BMTMAWCHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O2
Molecular Weight 304.50 g/mol
Exact Mass 304.240230259 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E,6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenal

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 87.61% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.77% 99.17%
CHEMBL2581 P07339 Cathepsin D 84.39% 98.95%
CHEMBL2664 P23526 Adenosylhomocysteinase 81.94% 86.67%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 81.82% 92.08%

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 14999884
LOTUS LTS0128645
wikiData Q105139008