3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-ol

Details

• Internal ID: d19e8a30-0245-463e-997e-5ce5ddbad06b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
• SMILES (Isomeric): CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
• InChI: InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3
• InChI Key: OJISWRZIEWCUBN-UHFFFAOYSA-N
• Popularity: 268 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O
• Molecular Weight: 290.50 g/mol
• Exact Mass: 290.260965704 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 6.60

Synonyms

• 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
• MFCD00129083
• 3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-ol
• OJISWRZIEWCUBN-UHFFFAOYSA-N
• DTXSID301029793
• SY066810
• FT-0626663
• FT-0774993
• Q27109835
• 3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraen-1-ol

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.25%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.82%	96.09%
CHEMBL2581	P07339	Cathepsin D	82.45%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.91%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.90%	99.17%

Plants that contains it

• Bellardia trixago
• Bixa orellana
• Helichrysum mimetes
• Mikania goyazensis
• Pellia epiphylla

Cross-Links

• PubChem: 65183
• LOTUS: LTS0105092
• wikiData: Q27109835