4-Hydroxy-3,5-dimethyl-6-(4,6,8-trimethylundec-2-en-2-yl)pyran-2-one

Details

• Internal ID: 3c2384bc-b67d-4616-bd8b-891b55492285
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: 4-hydroxy-3,5-dimethyl-6-(4,6,8-trimethylundec-2-en-2-yl)pyran-2-one
• InChI: InChI=1S/C21H34O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h12-15,22H,8-11H2,1-7H3
• InChI Key: IPVYZLACGWVYRC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50 g/mol
• Exact Mass: 334.25079494 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 6.60

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
CHEMBL2581	P07339	Cathepsin D	97.52%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.73%	91.11%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	90.81%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	90.76%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	88.95%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.09%	95.56%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.89%	93.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.43%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.78%	99.23%
CHEMBL4040	P28482	MAP kinase ERK2	82.73%	83.82%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	80.64%	90.93%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 54716154
• LOTUS: LTS0234438
• wikiData: Q105117538