5-(2,6-Dimethylhepta-1,5-dienyl)-3-(4-hydroxy-4-methylhex-5-enylidene)oxolan-2-one

Details

• Internal ID: f576c35e-04f6-4e36-9c2a-056e65c6418f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
• IUPAC Name: 5-(2,6-dimethylhepta-1,5-dienyl)-3-(4-hydroxy-4-methylhex-5-enylidene)oxolan-2-one
• InChI: InChI=1S/C20H30O3/c1-6-20(5,22)12-8-11-17-14-18(23-19(17)21)13-16(4)10-7-9-15(2)3/h6,9,11,13,18,22H,1,7-8,10,12,14H2,2-5H3
• InChI Key: AYKMUWWDCKYTDG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.40 g/mol
• Exact Mass: 318.21949481 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 4.80

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	94.74%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.53%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	94.35%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	87.41%	89.34%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.40%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.19%	99.23%
CHEMBL1902	P62942	FK506-binding protein 1A	83.24%	97.05%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.93%	95.56%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.27%	90.93%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.10%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.08%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.74%	97.09%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.17%	96.47%

Plants that contains it

• Baccharis pteronioides

Cross-Links

• PubChem: 162878045
• LOTUS: LTS0232994
• wikiData: Q104921175