4-Hydroxy-3,5-dimethyl-6-(4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl)pyran-2-one

Details

• Internal ID: cc526b5d-d02d-4b20-ae29-28de919069a9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: 4-hydroxy-3,5-dimethyl-6-(4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl)pyran-2-one
• InChI: InChI=1S/C26H38O4/c1-10-15(2)12-18(5)23(27)19(6)13-16(3)11-17(4)14-20(7)25-21(8)24(28)22(9)26(29)30-25/h11,13-16,18,28H,10,12H2,1-9H3
• InChI Key: BSQFDRHCLGWIGE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₈O₄
• Molecular Weight: 414.60 g/mol
• Exact Mass: 414.27700969 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 6.80

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	97.13%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.88%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	91.37%	94.73%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	90.58%	90.71%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	89.42%	89.34%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.93%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.04%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.16%	89.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	85.33%	92.29%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.70%	90.93%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.69%	93.56%
CHEMBL2039	P27338	Monoamine oxidase B	81.44%	92.51%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76181751
• LOTUS: LTS0089002
• wikiData: Q104945371