7-Hydroxy-2,7,11,15-tetramethylhexadeca-2,5,10,14-tetraen-4-one

Details

• Internal ID: 6fab8e1d-ed79-4907-93ae-ab9be904bb95
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 7-hydroxy-2,7,11,15-tetramethylhexadeca-2,5,10,14-tetraen-4-one
• SMILES (Canonical): CC(=CCCC(=CCCC(C)(C=CC(=O)C=C(C)C)O)C)C
• SMILES (Isomeric): CC(=CCCC(=CCCC(C)(C=CC(=O)C=C(C)C)O)C)C
• InChI: InChI=1S/C20H32O2/c1-16(2)9-7-10-18(5)11-8-13-20(6,22)14-12-19(21)15-17(3)4/h9,11-12,14-15,22H,7-8,10,13H2,1-6H3
• InChI Key: CMJJCZHVFYMFPL-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.40

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	92.82%	94.73%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.72%	92.08%
CHEMBL2581	P07339	Cathepsin D	89.24%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	89.10%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	88.05%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.83%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.38%	99.17%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.83%	89.34%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.52%	94.33%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	80.27%	87.16%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.02%	91.24%

Plants that contains it

• Geigeria schinzii

Cross-Links

• PubChem: 163192701
• LOTUS: LTS0195439
• wikiData: Q105102847