3,4,5,6-Tetramethoxyfurano[2,3-h]flavan

Details

• Internal ID: 59c1e30f-b033-4f95-aa73-c26d7079d758
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
• IUPAC Name: 3,4,5,6-tetramethoxy-2-phenyl-3,4-dihydro-2H-furo[2,3-h]chromene
• SMILES (Canonical): COC1C(OC2=C(C1OC)C(=C(C3=C2C=CO3)OC)OC)C4=CC=CC=C4
• SMILES (Isomeric): COC1C(OC2=C(C1OC)C(=C(C3=C2C=CO3)OC)OC)C4=CC=CC=C4
• InChI: InChI=1S/C21H22O6/c1-22-18-14-16(13-10-11-26-17(13)21(25-4)19(14)23-2)27-15(20(18)24-3)12-8-6-5-7-9-12/h5-11,15,18,20H,1-4H3
• InChI Key: CJDWWGLVOLCWPW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₂O₆
• Molecular Weight: 370.40 g/mol
• Exact Mass: 370.14163842 g/mol
• Topological Polar Surface Area (TPSA): 59.30 Ų
• XlogP: 3.10

Synonyms

• LMPK12020219

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
CHEMBL4040	P28482	MAP kinase ERK2	96.95%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.05%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.11%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	90.71%	91.49%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	89.18%	94.03%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.82%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.50%	96.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.24%	99.23%

Plants that contains it

• Lonchocarpus subglaucescens

Cross-Links

• PubChem: 44257169
• LOTUS: LTS0100091
• wikiData: Q104960934