(1S,2E,8E)-1,4,4,8-tetramethylcycloundeca-2,8-dien-1-ol

Details

• Internal ID: 1ac49d08-d452-4054-ab74-e46e8445cc35
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1S,2E,8E)-1,4,4,8-tetramethylcycloundeca-2,8-dien-1-ol
• SMILES (Canonical): CC1=CCCC(C=CC(CCC1)(C)C)(C)O
• SMILES (Isomeric): C/C/1=C\CC[C@](/C=C/C(CCC1)(C)C)(C)O
• InChI: InChI=1S/C15H26O/c1-13-7-5-9-14(2,3)11-12-15(4,16)10-6-8-13/h8,11-12,16H,5-7,9-10H2,1-4H3/b12-11+,13-8+/t15-/m0/s1
• InChI Key: FZPDSGOTYHMYJT-WOZBDJMESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 4.10

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.31%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.65%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.12%	95.56%
CHEMBL4208	P20618	Proteasome component C5	85.62%	90.00%
CHEMBL2581	P07339	Cathepsin D	84.83%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.10%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.96%	94.45%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.11%	95.50%

Plants that contains it

• Abies alba

Cross-Links

• PubChem: 163093605
• LOTUS: LTS0170450
• wikiData: Q105005088