(2R)-6-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

Details

• Internal ID: bddd3057-b192-433a-97a8-e46e88798bad
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: (2R)-6-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)OC)O
• SMILES (Isomeric): COC1=C(C(=C2C(=O)C[C@@H](OC2=C1)C3=CC=CC=C3)OC)O
• InChI: InChI=1S/C17H16O5/c1-20-14-9-13-15(17(21-2)16(14)19)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3/t12-/m1/s1
• InChI Key: XVCRDIQXUUPWPZ-GFCCVEGCSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₅
• Molecular Weight: 300.30 g/mol
• Exact Mass: 300.09977361 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 2.50

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	98.75%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.04%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.03%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.57%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.31%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.13%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.83%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.54%	89.00%
CHEMBL2535	P11166	Glucose transporter	84.66%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.89%	94.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	80.39%	94.03%

Plants that contains it

• Piper hispidum

Cross-Links

• PubChem: 163071725
• LOTUS: LTS0093072
• wikiData: Q105342792