7-Hydroxyflavan

Details

• Internal ID: 1e2a43f9-a934-4a30-bc38-295669864d27
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids
• IUPAC Name: (2S)-2-phenyl-3,4-dihydro-2H-chromen-7-ol
• SMILES (Canonical): C1CC2=C(C=C(C=C2)O)OC1C3=CC=CC=C3
• SMILES (Isomeric): C1CC2=C(C=C(C=C2)O)O[C@@H]1C3=CC=CC=C3
• InChI: InChI=1S/C15H14O2/c16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11/h1-6,8,10,14,16H,7,9H2/t14-/m0/s1
• InChI Key: KFUMHIDDQQILEL-AWEZNQCLSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₂
• Molecular Weight: 226.27 g/mol
• Exact Mass: 226.099379685 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 3.50

Synonyms

• 2-Phenyl-3,4-dihydro-2H-1-benzopyran-7-ol
• (2S)-2-phenyl-3,4-dihydro-2H-chromen-7-ol
• C09757
• BIDD:ER0466
• CHEBI:2267
• SCHEMBL1934690
• DTXSID10959358
• LMPK12020227
• Q27105600

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	98.45%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.73%	95.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	88.90%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.59%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.39%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	83.43%	91.49%
CHEMBL217	P14416	Dopamine D2 receptor	82.81%	95.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.76%	86.33%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	81.91%	91.79%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	80.58%	94.62%

Plants that contains it

• Dracaena cinnabari
• Habranthus brachyandrus

Cross-Links

• PubChem: 442413
• LOTUS: LTS0185536
• wikiData: Q27105600