(2R,3R)-2-phenyl-3,4-dihydro-2H-chromene-3,7-diol

Details

• Internal ID: 312020c6-86d6-4971-ad76-1d0bedc06824
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols
• IUPAC Name: (2R,3R)-2-phenyl-3,4-dihydro-2H-chromene-3,7-diol
• SMILES (Canonical): C1C(C(OC2=C1C=CC(=C2)O)C3=CC=CC=C3)O
• SMILES (Isomeric): C1[C@H]([C@H](OC2=C1C=CC(=C2)O)C3=CC=CC=C3)O
• InChI: InChI=1S/C15H14O3/c16-12-7-6-11-8-13(17)15(18-14(11)9-12)10-4-2-1-3-5-10/h1-7,9,13,15-17H,8H2/t13-,15-/m1/s1
• InChI Key: IEBWEPWIIBEIII-UKRRQHHQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₃
• Molecular Weight: 242.27 g/mol
• Exact Mass: 242.094294304 g/mol
• Topological Polar Surface Area (TPSA): 49.70 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	98.41%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	94.63%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.53%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.76%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.50%	95.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.68%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.32%	97.09%
CHEMBL4040	P28482	MAP kinase ERK2	83.90%	83.82%
CHEMBL2581	P07339	Cathepsin D	83.55%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	83.06%	94.73%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	82.62%	94.62%
CHEMBL217	P14416	Dopamine D2 receptor	81.96%	95.62%
CHEMBL236	P41143	Delta opioid receptor	80.48%	99.35%

Plants that contains it

• Habranthus brachyandrus

Cross-Links

• PubChem: 44475661
• LOTUS: LTS0230906
• wikiData: Q105111682