(2R,4S)-4,5,6-trimethoxy-2-phenyl-3,4-dihydro-2H-furo[2,3-h]chromene

Details

• Internal ID: bf508211-da00-47de-8679-c0a9c2c7edf2
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
• IUPAC Name: (2R,4S)-4,5,6-trimethoxy-2-phenyl-3,4-dihydro-2H-furo[2,3-h]chromene
• SMILES (Canonical): COC1CC(OC2=C1C(=C(C3=C2C=CO3)OC)OC)C4=CC=CC=C4
• SMILES (Isomeric): CO[C@H]1C[C@@H](OC2=C1C(=C(C3=C2C=CO3)OC)OC)C4=CC=CC=C4
• InChI: InChI=1S/C20H20O5/c1-21-15-11-14(12-7-5-4-6-8-12)25-17-13-9-10-24-18(13)20(23-3)19(22-2)16(15)17/h4-10,14-15H,11H2,1-3H3/t14-,15+/m1/s1
• InChI Key: OSXFHLNKPJHDAP-CABCVRRESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₅
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.13107373 g/mol
• Topological Polar Surface Area (TPSA): 50.10 Ų
• XlogP: 3.60

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.59%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.81%	95.56%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	91.53%	94.03%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.35%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.23%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.97%	96.09%
CHEMBL2716	Q8WUI4	Histone deacetylase 7	83.89%	89.44%

Plants that contains it

• Lonchocarpus subglaucescens

Cross-Links

• PubChem: 163030959
• LOTUS: LTS0134968
• wikiData: Q105199366