9-(Furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,4,6-trien-1-ol

Details

• Internal ID: f805e047-d1e2-4c35-b0a7-4433d3771ecf
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 9-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,4,6-trien-1-ol
• SMILES (Canonical): CC(=CCCC(=CC=CC(=CCCC1=COC=C1)C)CO)C
• SMILES (Isomeric): CC(=CCCC(=CC=CC(=CCCC1=COC=C1)C)CO)C
• InChI: InChI=1S/C20H28O2/c1-17(2)7-4-10-19(15-21)11-5-8-18(3)9-6-12-20-13-14-22-16-20/h5,7-9,11,13-14,16,21H,4,6,10,12,15H2,1-3H3
• InChI Key: FWLAJKKLSPZWAW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.40 g/mol
• Exact Mass: 300.208930132 g/mol
• Topological Polar Surface Area (TPSA): 33.40 Ų
• XlogP: 5.70

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.24%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.53%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	91.44%	94.73%
CHEMBL2581	P07339	Cathepsin D	90.11%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	89.11%	92.08%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.92%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.80%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.05%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 85447399
• LOTUS: LTS0214011
• wikiData: Q105003343