7,8-dimethoxy-3,4,5-trimethyl-4H-benzo[f][1]benzofuran-9-one

Details

• Internal ID: 56908fca-7a36-47c5-b873-6c448857ba67
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
• IUPAC Name: 7,8-dimethoxy-3,4,5-trimethyl-4H-benzo[f][1]benzofuran-9-one
• InChI: InChI=1S/C17H18O4/c1-8-6-11(19-4)16(20-5)14-12(8)10(3)13-9(2)7-21-17(13)15(14)18/h6-7,10H,1-5H3
• InChI Key: LILKIMUAZWSTDS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈O₄
• Molecular Weight: 286.32 g/mol
• Exact Mass: 286.12050905 g/mol
• Topological Polar Surface Area (TPSA): 48.70 Ų
• XlogP: 3.80

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	93.92%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.38%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.50%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.74%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.18%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.83%	96.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	84.37%	97.14%
CHEMBL4302	P08183	P-glycoprotein 1	81.54%	92.98%
CHEMBL2581	P07339	Cathepsin D	81.28%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.64%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	80.32%	94.73%

Plants that contains it

• Senecio madagascariensis

Cross-Links

• PubChem: 10517317
• LOTUS: LTS0123897
• wikiData: Q105152250