(2E,6E,9E,11E)-3,7,11,15-tetramethylhexadeca-2,6,9,11,14-pentaen-1-ol

Details

• Internal ID: 62a6549c-f38d-4dfd-9b14-275806aeccf6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: (2E,6E,9E,11E)-3,7,11,15-tetramethylhexadeca-2,6,9,11,14-pentaen-1-ol
• SMILES (Canonical): CC(=CCC=C(C)C=CCC(=CCCC(=CCO)C)C)C
• SMILES (Isomeric): CC(=CC/C=C(\C)/C=C/C/C(=C/CC/C(=C/CO)/C)/C)C
• InChI: InChI=1S/C20H32O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h7,9-11,13,15,21H,6,8,12,14,16H2,1-5H3/b11-7+,18-10+,19-13+,20-15+
• InChI Key: GTABLEMMFSLEDL-SZPPTGSDSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O
• Molecular Weight: 288.50 g/mol
• Exact Mass: 288.245315640 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 6.70

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	93.01%	83.82%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.39%	92.08%
CHEMBL2581	P07339	Cathepsin D	85.67%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	83.39%	94.73%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.90%	93.10%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.28%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.85%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.34%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 21632533
• LOTUS: LTS0058661
• wikiData: Q105018339