3,6-Dihydroxy-2-methoxy-4-propylbenzaldehyde

Details

• Internal ID: 67107e62-6905-43f1-b3d0-d2a3dd725d8d
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 3,6-dihydroxy-2-methoxy-4-propylbenzaldehyde
• InChI: InChI=1S/C11H14O4/c1-3-4-7-5-9(13)8(6-12)11(15-2)10(7)14/h5-6,13-14H,3-4H2,1-2H3
• InChI Key: RORMRUPMCRNXEK-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23 g/mol
• Exact Mass: 210.08920892 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.50

Synonyms

• 67451-75-6
• DTXSID80791328

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
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	97.77%	98.11%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.82%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.70%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.10%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.89%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.36%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.39%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	85.76%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.39%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71368257
• LOTUS: LTS0211687
• wikiData: Q82759798