4,4,8,11b-Tetramethyl-1,3,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2,9-dione

Details

• Internal ID: e0c77bab-11f9-4fb2-b784-97e93d976fc6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
• IUPAC Name: 4,4,8,11b-tetramethyl-1,3,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2,9-dione
• InChI: InChI=1S/C20H26O3/c1-11-14-7-12-5-6-17-19(2,3)9-13(21)10-20(17,4)15(12)8-16(14)23-18(11)22/h7,15-17H,5-6,8-10H2,1-4H3
• InChI Key: NHTGXLDCTQFPJN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.40 g/mol
• Exact Mass: 314.18819469 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 2.80

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.50%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.44%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.97%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.21%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.07%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.02%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.30%	94.00%
CHEMBL2581	P07339	Cathepsin D	83.34%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.31%	100.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.82%	93.40%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	81.79%	97.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.33%	95.89%

Plants that contains it

• Euphorbia calyptrata

Cross-Links

• PubChem: 85240955
• LOTUS: LTS0071090
• wikiData: Q105179573