4,5-Dimethoxy-2-(1-methyl-2,3-dihydroindol-7-yl)benzaldehyde

Details

• Internal ID: 3959c2ae-d707-4e73-9d4f-a11661b579a4
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
• IUPAC Name: 4,5-dimethoxy-2-(1-methyl-2,3-dihydroindol-7-yl)benzaldehyde
• InChI: InChI=1S/C18H19NO3/c1-19-8-7-12-5-4-6-14(18(12)19)15-10-17(22-3)16(21-2)9-13(15)11-20/h4-6,9-11H,7-8H2,1-3H3
• InChI Key: OTBKNZMJMRPCCA-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₉NO₃
• Molecular Weight: 297.30 g/mol
• Exact Mass: 297.13649347 g/mol
• Topological Polar Surface Area (TPSA): 38.80 Ų
• XlogP: 3.10

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.15%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	98.01%	95.56%
CHEMBL2581	P07339	Cathepsin D	97.44%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.25%	86.33%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	91.62%	93.40%
CHEMBL2535	P11166	Glucose transporter	90.68%	98.75%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	89.73%	98.11%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	88.64%	100.00%
CHEMBL4208	P20618	Proteasome component C5	88.14%	90.00%
CHEMBL2056	P21728	Dopamine D1 receptor	88.03%	91.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.34%	95.89%
CHEMBL217	P14416	Dopamine D2 receptor	82.93%	95.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.28%	99.17%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.45%	95.89%

Plants that contains it

• Lycoris aurea

Cross-Links

• PubChem: 86083058
• LOTUS: LTS0220881
• wikiData: Q105199471