10-Hydroxy-6,10-dimethyltridec-6-ene-2,12-dione

Details

• Internal ID: c6df32f2-aec4-4105-828a-6229f3ba462f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
• IUPAC Name: 10-hydroxy-6,10-dimethyltridec-6-ene-2,12-dione
• InChI: InChI=1S/C15H26O3/c1-12(7-5-9-13(2)16)8-6-10-15(4,18)11-14(3)17/h8,18H,5-7,9-11H2,1-4H3
• InChI Key: GTXUPRXWCSHMFU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.18819469 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 1.70

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.34%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.26%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.39%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	87.80%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.67%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.48%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.54%	97.25%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.99%	89.34%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.69%	96.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162861616
• LOTUS: LTS0084212
• wikiData: Q104167481