Torilolide

Details

• Internal ID: 7ceb9e52-c628-4955-bc33-27ce66ebf55e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives
• IUPAC Name: [(6E,10E,11aR)-3,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-6-yl]methyl (E)-2-methylbut-2-enoate
• InChI: InChI=1S/C20H26O4/c1-5-14(3)19(21)23-12-16-8-6-7-13(2)11-18-17(10-9-16)15(4)20(22)24-18/h5,8,11,18H,6-7,9-10,12H2,1-4H3/b13-11+,14-5+,16-8+/t18-/m1/s1
• InChI Key: KGWAJNHQUWKJGM-CQIUZYDTSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₆O₄
• Molecular Weight: 330.40 g/mol
• Exact Mass: 330.18310931 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 3.00

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	95.21%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.73%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.30%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.43%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.74%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.71%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	84.20%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.11%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.40%	97.09%
CHEMBL230	P35354	Cyclooxygenase-2	83.17%	89.63%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.56%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.54%	95.50%
CHEMBL4208	P20618	Proteasome component C5	82.33%	90.00%

Plants that contains it

• Torilis japonica

Cross-Links

• PubChem: 13715181
• LOTUS: LTS0079380
• wikiData: Q105141002