(2S,3R)-3-methoxy-2-phenyl-2,3-dihydrofuro[2,3-h]chromen-4-one

Details

• Internal ID: 20aa97a4-12e9-4518-841b-cebebba80358
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
• IUPAC Name: (2S,3R)-3-methoxy-2-phenyl-2,3-dihydrofuro[2,3-h]chromen-4-one
• SMILES (Canonical): COC1C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4
• SMILES (Isomeric): CO[C@@H]1[C@@H](OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4
• InChI: InChI=1S/C18H14O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10,16,18H,1H3/t16-,18-/m0/s1
• InChI Key: LYNQPGYNZNLSGX-WMZOPIPTSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₄O₄
• Molecular Weight: 294.30 g/mol
• Exact Mass: 294.08920892 g/mol
• Topological Polar Surface Area (TPSA): 48.70 Ų
• XlogP: 3.30

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
CHEMBL1951	P21397	Monoamine oxidase A	99.46%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.44%	95.56%
CHEMBL2581	P07339	Cathepsin D	93.91%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.31%	99.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.31%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.71%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.39%	89.00%

Plants that contains it

• Lonchocarpus heptaphyllus

Cross-Links

• PubChem: 162934523
• LOTUS: LTS0077317
• wikiData: Q105159446