4-(Methoxymethyl)cyclopenta[c]pyran-7-carbaldehyde

Details

• Internal ID: 83360ae6-054f-4273-9904-7b8cb8d776c5
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes
• IUPAC Name: 4-(methoxymethyl)cyclopenta[c]pyran-7-carbaldehyde
• InChI: InChI=1S/C11H10O3/c1-13-5-9-6-14-7-11-8(4-12)2-3-10(9)11/h2-4,6-7H,5H2,1H3
• InChI Key: KZNWWOXBZGCGSK-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.19 g/mol
• Exact Mass: 190.062994177 g/mol
• Topological Polar Surface Area (TPSA): 39.40 Ų
• XlogP: 1.10

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
CHEMBL2581	P07339	Cathepsin D	94.59%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.51%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.65%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	90.40%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.22%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.17%	96.09%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	84.79%	98.11%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	82.47%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.96%	91.11%
CHEMBL4208	P20618	Proteasome component C5	80.41%	90.00%

Plants that contains it

• Valeriana jatamansi

Cross-Links

• PubChem: 20807450
• LOTUS: LTS0135174
• wikiData: Q105148364