5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone

Details

• Internal ID: 725aaee9-10a5-42f5-822f-6c49f0453406
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
• IUPAC Name: 5,6-dimethoxy-2-phenyl-2,3-dihydrofuro[2,3-h]chromen-4-one
• SMILES (Canonical): COC1=C(C2=C(C=CO2)C3=C1C(=O)CC(O3)C4=CC=CC=C4)OC
• SMILES (Isomeric): COC1=C(C2=C(C=CO2)C3=C1C(=O)CC(O3)C4=CC=CC=C4)OC
• InChI: InChI=1S/C19H16O5/c1-21-18-15-13(20)10-14(11-6-4-3-5-7-11)24-16(15)12-8-9-23-17(12)19(18)22-2/h3-9,14H,10H2,1-2H3
• InChI Key: ZSJQUFKCLXPUKH-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₆O₅
• Molecular Weight: 324.30 g/mol
• Exact Mass: 324.09977361 g/mol
• Topological Polar Surface Area (TPSA): 57.90 Ų
• XlogP: 3.30

Synonyms

• CHEBI:186891
• LMPK12140608
• 5,6-dimethoxy-2-phenyl-2,3-dihydrouro[2,3-h]chromen-4-one

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.47%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.29%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.52%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	93.04%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.62%	85.14%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	89.49%	94.03%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.28%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.10%	97.09%
CHEMBL2535	P11166	Glucose transporter	82.56%	98.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.03%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.50%	94.00%

Plants that contains it

• Lonchocarpus subglaucescens

Cross-Links

• PubChem: 42608094
• LOTUS: LTS0224922
• wikiData: Q105382556