(3E,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol

Details

• Internal ID: 08e50c28-abdf-4451-b439-2f251e25156e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (3E,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
• SMILES (Canonical): CC(=CCCC(C)(C=C)O)CCC=C(C)CC=CC(C)(C)O
• SMILES (Isomeric): C/C(=C\CC[C@@](C)(C=C)O)/CC/C=C(\C)/C/C=C/C(C)(C)O
• InChI: InChI=1S/C20H34O2/c1-7-20(6,22)16-10-14-18(3)12-8-11-17(2)13-9-15-19(4,5)21/h7,9,11,14-15,21-22H,1,8,10,12-13,16H2,2-6H3/b15-9+,17-11+,18-14+/t20-/m1/s1
• InChI Key: WOEPMBZJDUYQTP-BIUBFESSSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.255880323 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.90

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
CHEMBL3401	O75469	Pregnane X receptor	90.90%	94.73%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	85.21%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.62%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.85%	99.17%
CHEMBL2581	P07339	Cathepsin D	82.70%	98.95%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.49%	90.93%

Plants that contains it

• Geigeria burkei

Cross-Links

• PubChem: 163100316
• LOTUS: LTS0084776
• wikiData: Q105309460