Stemofuran O

Details

• Internal ID: 92bc4d28-5bea-40da-8c7c-f81679b03c48
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: 2-(3,5-dimethoxy-2,4,6-trimethylphenyl)-1-benzofuran-4-ol
• SMILES (Canonical): CC1=C(C(=C(C(=C1OC)C)OC)C)C2=CC3=C(C=CC=C3O2)O
• SMILES (Isomeric): CC1=C(C(=C(C(=C1OC)C)OC)C)C2=CC3=C(C=CC=C3O2)O
• InChI: InChI=1S/C19H20O4/c1-10-17(11(2)19(22-5)12(3)18(10)21-4)16-9-13-14(20)7-6-8-15(13)23-16/h6-9,20H,1-5H3
• InChI Key: OHZINUTYNDAXCG-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₄
• Molecular Weight: 312.40 g/mol
• Exact Mass: 312.13615911 g/mol
• Topological Polar Surface Area (TPSA): 51.80 Ų
• XlogP: 4.70

Synonyms

• CHEBI:70129
• Q27138469

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	98.84%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.38%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.25%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.87%	94.00%
CHEMBL2581	P07339	Cathepsin D	90.90%	98.95%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	89.62%	93.65%
CHEMBL3401	O75469	Pregnane X receptor	89.24%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.21%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.17%	89.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	88.80%	94.03%
CHEMBL2535	P11166	Glucose transporter	87.10%	98.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.04%	93.99%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.96%	99.23%

Plants that contains it

• Stemona aphylla

Cross-Links

• PubChem: 50994539
• LOTUS: LTS0191661
• wikiData: Q27138469