3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol

Details

• Internal ID: c9cb52df-71f8-4a1a-8bfa-ec5a2d48811b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Polyprenols
• IUPAC Name: 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C
• SMILES (Isomeric): CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C
• InChI: InChI=1S/C40H66O/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-41/h17,19,21,23,25,27,29,31,41H,10-16,18,20,22,24,26,28,30,32H2,1-9H3
• InChI Key: BZORESSIXXHLNB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₆₆O
• Molecular Weight: 562.90 g/mol
• Exact Mass: 562.511366725 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 14.00

Synonyms

• 5905-42-0
• DTXSID20274281

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

• Arachis hypogaea
• Ononis natrix

Cross-Links

• PubChem: 707
• LOTUS: LTS0112988
• wikiData: Q82003656