Verimol H

Details

• Internal ID: c6368f64-2e52-4bf8-a0b0-68ada0c08b2a
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane
• SMILES (Canonical): CC1C(OC(C(O1)C2=CC=C(C=C2)OC)C)C3=CC=C(C=C3)OC
• SMILES (Isomeric): CC1C(OC(C(O1)C2=CC=C(C=C2)OC)C)C3=CC=C(C=C3)OC
• InChI: InChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3
• InChI Key: TWEGIGPRPZZEHS-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.16745924 g/mol
• Topological Polar Surface Area (TPSA): 36.90 Ų
• XlogP: 3.60

Synonyms

• 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane
• CHEBI:174432
• TWEGIGPRPZZEHS-UHFFFAOYSA-N
• 2,5-Bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane, 9CI
• (2R,3S,5S,6R)-2,5-bis(4-Methoxyphenyl)-3,6-dimethyl-1,4-dioxane-rel-
• 1,4-Dioxane, 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-, (2R,3S,5S,6R)-rel-

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	92.33%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	91.85%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.20%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.13%	97.09%
CHEMBL4208	P20618	Proteasome component C5	88.24%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.94%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.95%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	83.86%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.60%	94.00%
CHEMBL1907	P15144	Aminopeptidase N	82.01%	93.31%

Plants that contains it

• Illicium verum

Cross-Links

• PubChem: 85266197
• LOTUS: LTS0164292
• wikiData: Q105265761