1,2,4-trimethoxy-5-[(1R,2R)-2-(2,4,5-trimethoxyphenyl)cyclobutyl]benzene

Details

• Internal ID: b77e5068-a89b-43fb-85bc-db6e43115269
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 1,2,4-trimethoxy-5-[(1R,2R)-2-(2,4,5-trimethoxyphenyl)cyclobutyl]benzene
• InChI: InChI=1S/C22H28O6/c1-23-17-11-21(27-5)19(25-3)9-15(17)13-7-8-14(13)16-10-20(26-4)22(28-6)12-18(16)24-2/h9-14H,7-8H2,1-6H3/t13-,14-/m1/s1
• InChI Key: JSEZFCVVWRJUJW-ZIAGYGMSSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₈O₆
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.18858861 g/mol
• Topological Polar Surface Area (TPSA): 55.40 Ų
• XlogP: 4.40

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	94.91%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	92.68%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.32%	97.09%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	87.09%	89.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.61%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.45%	95.89%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.99%	97.14%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.93%	92.62%
CHEMBL5203	P33316	dUTP pyrophosphatase	81.52%	99.18%

Plants that contains it

• Duguetia staudtii

Cross-Links

• PubChem: 163075888
• LOTUS: LTS0132974
• wikiData: Q105134304