(5-methoxy-2,2,4-trimethyl-3-oxo-7-propan-2-yl-1H-inden-1-yl) acetate

Details

• Internal ID: 1254ab5d-2a60-4873-90ce-8e58c8370243
• Taxonomy: Benzenoids > Indanes > Indanones
• IUPAC Name: (5-methoxy-2,2,4-trimethyl-3-oxo-7-propan-2-yl-1H-inden-1-yl) acetate
• InChI: InChI=1S/C18H24O4/c1-9(2)12-8-13(21-7)10(3)14-15(12)17(22-11(4)19)18(5,6)16(14)20/h8-9,17H,1-7H3
• InChI Key: FCVOUXXKDAWLER-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₄O₄
• Molecular Weight: 304.40 g/mol
• Exact Mass: 304.16745924 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 3.50

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	96.60%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.32%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.09%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.32%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.90%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.31%	85.14%
CHEMBL340	P08684	Cytochrome P450 3A4	86.13%	91.19%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.78%	89.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.93%	91.07%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.65%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.99%	94.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11023112
• LOTUS: LTS0204955
• wikiData: Q104993398